SCHEMBL655006

SCHEMBL655006

COc1ccc(-c2ccccc2)cc1Nc1ncc(C)c(Nc2cc(-c3ccccc3)ccc2OC)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.53
PIK3CG P48736 1/20 0.53
CAMKK2 Q96RR4 1/20 0.53
MAP4K1 Q92918 1/20 0.53
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 1/20 0.48
LRRK2 Q5S007 1/20 0.47
GBA1 P04062 1/20 0.45
ALK Q9UM73 2/20 0.45
EGFR P00533 1/20 0.45
AURKA O14965 2/20 0.45
MERTK Q12866 1/20 0.45
ALDH1A1 P00352 2/20 0.44
BRD4 O60885 2/20 0.44
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL653918 0.87 ZAP70 (0.68) ZAP70PIK3CGCAMKK2LRRK2ALK
SCHEMBL655647 0.87 AURKA (0.57) ZAP70PIK3CGCAMKK2MAP4K1LRRK2
SCHEMBL656191 0.86 CAMKK2 (0.52) CAMKK2MAP4K1LRRK2EGFRAURKA
SCHEMBL654964 0.84 MAP4K1 (0.54) MAP4K1LRRK2ALKEGFRBRD4
SCHEMBL13924537 0.80 PIK3CG (0.48) ZAP70PIK3CGCAMKK2MAPTKDM4E
SCHEMBL654965 0.79 MERTK (0.50) MAP4K1LRRK2ALKEGFRMERTK
SCHEMBL14462531 0.78 PIK3CG (0.44) ZAP70PIK3CGCAMKK2MAP4K1MAPT
SCHEMBL655509 0.78 EGFR (0.69) PIK3CGCAMKK2MAP4K1MAPTKDM4E
SCHEMBL14658234 0.77 MAPK8 (0.73) ZAP70PIK3CGCAMKK2MAP4K1EGFR
SCHEMBL655014 0.77 BRD4 (0.54) MAP4K1EGFRAURKABRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2130541-A2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds Rigel Pharmaceuticals, Inc. (US) 2009-12-09 EP claimed
US-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis MIDCAP FINANCIAL TRUST 2006-03-16 US claimed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-9913842-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2018-03-13 US disclosed
US-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis MIDCAP FINANCIAL TRUST 2006-03-16 US disclosed
US-20060035916-A1 N2,N4-bis(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors MIDCAP FINANCIAL TRUST 2006-02-16 US disclosed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
US-20060025410-A1 N4-(1,4-Benzoxazin-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors MIDCAP FINANCIAL TRUST 2006-02-02 US disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 US disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis FCER2, FCGR1A, HRH4 ZAP70 352/4885PIK3CG 445/4885CAMKK2 2090/4885
US-20060035916-A1 N2,N4-bis(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors SYK, FCER2, FCGR1A ZAP70 24/4885PIK3CG 284/4885CAMKK2 1483/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT ZAP70 174/4885PIK3CG 898/4885CAMKK2 1982/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A ZAP70 79/4885PIK3CG 281/4885CAMKK2 923/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ZAP70 79/4885PIK3CG 281/4885CAMKK2 923/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ZAP70 79/4885PIK3CG 281/4885CAMKK2 923/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ZAP70 79/4885PIK3CG 281/4885CAMKK2 923/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ZAP70 79/4885PIK3CG 281/4885CAMKK2 923/4885
US-20060025410-A1 N4-(1,4-Benzoxazin-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors SYK, FCER2, FCGR1A ZAP70 20/4885PIK3CG 420/4885CAMKK2 1151/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A ZAP70 134/4885PIK3CG 108/4885CAMKK2 1821/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A ZAP70 350/4885PIK3CG 561/4885CAMKK2 713/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ZAP70 79/4885PIK3CG 281/4885CAMKK2 923/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A ZAP70 79/4885PIK3CG 281/4885CAMKK2 923/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ZAP70 79/4885PIK3CG 281/4885CAMKK2 923/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.