SCHEMBL4098766

SCHEMBL4098766

COc1ccccc1-c1cc(Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)ncn1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 19/20 0.63
CCNT1 O60563 16/20 0.63
USP2 O75604 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
ALOX15 P16050 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61

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
SCHEMBL4116315 0.91 CDK9 (0.69) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL5734587 0.90 EGFR (0.56) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL1243609 0.90 CDK9 (0.65) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4759000 0.90 CDK9 (0.70) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4097394 0.89 CDK9 (0.66) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4105958 0.88 CDK9 (0.50) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4108000 0.87 CDK9 (0.64) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4103945 0.87 CDK9 (0.66) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4105937 0.85 CDK9 (0.53) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL5733331 0.84 CDK9 (0.56) CDK9CCNT1USP2ALDH1A1LMNA

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
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
EP-1678147-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC Biotech AG (DE) 2006-07-12 EP claimed
WO-2005026129-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC BIOTECH AG (DE) 2005-03-24 WO 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
EP-1901747-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN Ingenium Pharmaceuticals AG (DE) 2008-03-26 EP 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
WO-2006125616-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS AG (DE) 2006-11-30 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 (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 CDK9 137/4885CCNT1 2075/4885USP2 4706/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 CDK9 97/4885CCNT1 81/4885USP2 1305/4885

“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.