SCHEMBL1116484

SCHEMBL1116484

COc1cc(Nc2ncc(Br)c(Nc3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.74
ULK1 O75385 5/20 0.64
AURKA O14965 2/20 0.55
KDR P35968 2/20 0.55
AURKB Q96GD4 2/20 0.55
IGF1R P08069 2/20 0.54
PRKAA2 P54646 1/20 0.54
PRKAA1 Q13131 1/20 0.54
ULK2 Q8IYT8 1/20 0.54
BRD4 O60885 3/20 0.52
CHEK1 O14757 1/20 0.51
NTRK2 Q16620 1/20 0.51
SYK P43405 2/20 0.51
EGFR P00533 2/20 0.50
LCK P06239 1/20 0.50
CDK19 Q9BWU1 1/20 0.50
ALK Q9UM73 1/20 0.50

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
SCHEMBL17544503 0.92 PTK2 (0.76) PTK2ULK1KDRIGF1RPRKAA2
SCHEMBL29575717 0.89 PTK2 (0.65) PTK2ULK1IGF1RPRKAA2PRKAA1
SCHEMBL17547493 0.89 PTK2 (0.65) PTK2ULK1IGF1RPRKAA2PRKAA1
SCHEMBL4027379 0.86 PTK2 (0.61) PTK2ULK1PRKAA2PRKAA1ULK2
SCHEMBL17544506 0.86 PTK2 (0.61) PTK2ULK1AURKAKDRAURKB
SCHEMBL19654488 0.86 PTK2 (0.67) PTK2ULK1KDRIGF1RPRKAA2
SCHEMBL29575113 0.86 PTK2 (1.00) PTK2ULK1KDRIGF1RPRKAA2
SCHEMBL17547491 0.86 PTK2 (1.00) PTK2ULK1KDRIGF1RPRKAA2
Hydrochloric Acid SCHEMBL3808853 0.85 PTK2 (0.60) PTK2ULK1PRKAA2PRKAA1ULK2
SCHEMBL17547549 0.85 PTK2 (0.72) PTK2ULK1AURKAKDRAURKB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4658477-B2 2011-03-23 JP claimed
US-20080039622-A1 Inhibiting the immunoglobulin (Ig) IgE and/or IgG receptor using R940343, N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; treating allergic and inflammatory diseases; syk kinase inhibitors RIGEL PHARMACEUTICALS, INC. 2008-02-14 US claimed
US-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US claimed
US-20070293524-A1 Salts, hydrates, solvatesand/or N-oxides; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors; inhibiting an Fc receptor signal transduction cascade RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US claimed
US-20070293520-A1 One amine is substituted with a fused heterocyclic ring and the other with a fused heterocyclic ring or phenyl ring, e.g., N2,N4-Bis(3,4-ethylenedioxyphenyl)-5-cyano-2,4-pyrimidinediamine; inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators such as histamine RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US claimed
US-20070293523-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US claimed
US-20070293521-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US claimed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US 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
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP claimed
JP-2005516046-A 2005-06-02 JP claimed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP claimed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US claimed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO claimed
EP-2281563-A1 2,4-Pyrimidinediamine compounds and their uses Rigel Pharmaceuticals, Inc. (US) 2011-02-09 EP 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 (9 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 PTK2 257/4885ULK1 2094/4885AURKA 533/4885
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PTK2 759/4885ULK1 975/4885AURKA 997/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT PTK2 1836/4885ULK1 1252/4885AURKA 1221/4885
US-20080039622-A1 Inhibiting the immunoglobulin (Ig) IgE and/or IgG receptor using R940343, N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; treating allergic and inflammatory diseases; syk kinase inhibitors FCER2, FCGR1A, FCGR2A PTK2 189/4885ULK1 872/4885AURKA 240/4885
US-20070293523-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A PTK2 312/4885ULK1 837/4885AURKA 962/4885
US-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PTK2 759/4885ULK1 975/4885AURKA 997/4885
US-20070293520-A1 One amine is substituted with a fused heterocyclic ring and the other with a fused heterocyclic ring or phenyl ring, e.g., N2,N4-Bis(3,4-ethylenedioxyphenyl)-5-cyano-2,4-pyrimidinediamine; inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators such as histamine HRH4, FCER2, HRH2 PTK2 995/4885ULK1 1332/4885AURKA 581/4885
US-20070293521-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A PTK2 312/4885ULK1 837/4885AURKA 962/4885
US-20070293524-A1 Salts, hydrates, solvatesand/or N-oxides; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors; inhibiting an Fc receptor signal transduction cascade SYK, FCER2, FCGR1A PTK2 447/4885ULK1 622/4885AURKA 485/4885

“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.