SCHEMBL4098044

SCHEMBL4098044

COc1ccc(-c2cc(Nc3ccc(NC(=O)c4ccc(N)cc4)cc3)ncn2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
ERBB3 P21860 1/20 0.54
CDK9 P50750 6/20 0.52
ABL1 P00519 5/20 0.52
BCR P11274 5/20 0.52
CCNT1 O60563 5/20 0.51
ADORA3 P0DMS8 2/20 0.49
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4108197 0.93 EGFR (0.53) EGFRERBB3CDK9ABL1BCR
SCHEMBL5734993 0.90 EGFR (0.68) EGFRERBB3CDK9ABL1BCR
SCHEMBL4108457 0.90 CYP1A2 (0.58) EGFRERBB3CDK9CCNT1USP2
SCHEMBL1243609 0.89 CDK9 (0.65) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4109084 0.87 ABL1 (0.64) EGFRERBB3ABL1BCRADORA3
SCHEMBL4108453 0.87 ABL1 (0.57) EGFRERBB3CDK9ABL1BCR
SCHEMBL4108286 0.87 ADORA3 (0.53) EGFRERBB3CDK9CCNT1ADORA3
SCHEMBL4107916 0.85 AGPAT2 (0.52) EGFRERBB3CDK9CCNT1USP2
SCHEMBL4116500 0.85 CDK9 (0.55) EGFRERBB3CDK9CCNT1ADORA3
SCHEMBL4105958 0.85 CDK9 (0.50) EGFRERBB3CDK9CCNT1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678147-B1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES LEAD DISCOVERY CENTER GMBH (DE) 2012-08-08 EP claimed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US claimed
US-8084457-B2 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases LEAD DISCOVERY CENTER GMBH (DE) 2011-12-27 US disclosed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-08-16 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-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases DAPK1, DUSP4, MARK4 EGFR 2475/4885ERBB3 830/4885CDK9 137/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 EGFR 4439/4885ERBB3 3605/4885CDK9 97/4885

“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.