SCHEMBL4733503

SCHEMBL4733503

COc1cc(Nc2nccc(-c3cccc(O)c3)n2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.71
PRKD3 O94806 3/20 0.71
PRKCG P05129 3/20 0.71
PRKCB P05771 3/20 0.71
LCK P06239 3/20 0.71
PRKCA P17252 3/20 0.71
PRKCH P24723 3/20 0.71
PRKCI P41743 3/20 0.71
PRKCE Q02156 3/20 0.71
PRKCQ Q04759 3/20 0.71
PRKCZ Q05513 3/20 0.71
PRKCD Q05655 3/20 0.71
PRKD1 Q15139 3/20 0.71
CDK2 P24941 3/20 0.66
EGFR P00533 3/20 0.66
JAK2 O60674 2/20 0.66
PIK3CA P42336 1/20 0.66
PIK3CB P42338 1/20 0.66
PIK3CG P48736 1/20 0.66
PTK2B Q14289 1/20 0.66

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
SCHEMBL6977138 0.87 ZAP70 (0.73) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6978697 0.87 CDK2 (0.78) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6974310 0.87 ZAP70 (0.80) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6976454 0.86 ZAP70 (0.71) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6979699 0.86 ZAP70 (0.71) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL4732715 0.86 PIK3CG (0.61) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6979315 0.85 CDK2 (0.79) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6980016 0.84 PLK1 (0.69) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6967588 0.84 ZAP70 (0.65) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6976605 0.83 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US disclosed
WO-2008065155-A1 CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-05 WO disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
CN-1860104-A 2-aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LTD (GB) 2006-11-08 CN disclosed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US 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 (2 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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors GRK3, NCOR1, GRM3 ZAP70 2765/4885PRKD3 204/4885PRKCG 1231/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 ZAP70 3883/4885PRKD3 3979/4885PRKCG 2328/4885

“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.