SCHEMBL654903

SCHEMBL654903

COC(=O)C(CC(C)C)Nc1ncc(C#N)c(NC(CC(C)C)C(=O)OC)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
LRRK2 Q5S007 6/20 0.40
SYK P43405 4/20 0.40
PLK1 P53350 1/20 0.39
ELANE P08246 4/20 0.39
MAPK8 P45983 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL14658556 1.00 NPR3 (0.43) NPR3CYP2C9CYP2C19LRRK2SYK
SCHEMBL13735937 1.00 NPR3 (0.43) NPR3CYP2C9CYP2C19LRRK2SYK
SCHEMBL14667059 1.00 NPR3 (0.43) NPR3CYP2C9CYP2C19LRRK2SYK
SCHEMBL29761546 1.00 NPR3 (0.43) NPR3CYP2C9CYP2C19LRRK2SYK
SCHEMBL4701355 0.74 NPR3 (0.47) NPR3CYP2C9CYP2C19ELANEMAPK8
SCHEMBL29761497 0.74 ALDH1A1 (0.47) LRRK2SYKPLK1IRAK4
SCHEMBL13735275 0.74 ALDH1A1 (0.47) LRRK2SYKPLK1IRAK4
SCHEMBL14667060 0.70 ALDH1A1 (0.43) LRRK2SYKPLK1IRAK4
SCHEMBL6508232 0.69 NPR3 (0.60) NPR3CYP2C9CYP2C19ELANE
SCHEMBL6508225 0.69 NPR3 (0.60) NPR3CYP2C9CYP2C19ELANE

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 88 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-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-7060827-B2 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2006-06-13 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 NPR3 3130/4885CYP2C9 2248/4885CYP2C19 1796/4885
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 NPR3 1966/4885CYP2C9 2739/4885CYP2C19 3022/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT NPR3 4620/4885CYP2C9 4591/4885CYP2C19 3967/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A NPR3 3840/4885CYP2C9 3298/4885CYP2C19 2510/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NPR3 3840/4885CYP2C9 3298/4885CYP2C19 2510/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NPR3 3840/4885CYP2C9 3298/4885CYP2C19 2510/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NPR3 3840/4885CYP2C9 3298/4885CYP2C19 2510/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NPR3 3840/4885CYP2C9 3298/4885CYP2C19 2510/4885
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 NPR3 2601/4885CYP2C9 2580/4885CYP2C19 2554/4885
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 NPR3 3677/4885CYP2C9 2684/4885CYP2C19 2109/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A NPR3 2508/4885CYP2C9 3395/4885CYP2C19 2981/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NPR3 3840/4885CYP2C9 3298/4885CYP2C19 2510/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A NPR3 3840/4885CYP2C9 3298/4885CYP2C19 2510/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NPR3 3840/4885CYP2C9 3298/4885CYP2C19 2510/4885

“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.