SCHEMBL4103419

SCHEMBL4103419

COc1ccccc1-c1cc(Nc2ccc(C)c(NC(=O)NCCN3CCOCC3)c2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 14/20 0.57
▸ CCNT1 O60563 12/20 0.57
▸ CCNA2 P20248 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ABL1 P00519 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ BCR P11274 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
SCHEMBL4103727 0.83 CDK9 (0.63) CDK9CCNT1CYP1A2HSD17B10USP2
SCHEMBL4101992 0.79 CCNT1 (0.52) CDK9CCNT1CCNA2CDK2CYP1A2
SCHEMBL15486591 0.79 CYP1A2 (0.55) CDK9CCNT1CCNA2CDK2CYP1A2
SCHEMBL4105944 0.78 CDK9 (0.66) CDK9CCNT1CYP1A2HSD17B10USP2
SCHEMBL4108998 0.77 CDK9 (0.61) CDK9CCNT1CYP1A2HSD17B10USP2
SCHEMBL4103533 0.75 ALDH1A1 (0.73) CDK9CCNT1CCNA2CDK2CYP1A2
SCHEMBL4114651 0.75 CCNT1 (0.49) CDK9CCNT1CCNA2CDK2CYP1A2
SCHEMBL15486966 0.74 CDK9 (0.62) CDK9CCNT1CCNA2CDK2CYP1A2
SCHEMBL4096927 0.74 USP2 (0.67) CDK9CCNT1CCNA2CDK2CYP1A2
SCHEMBL15486698 0.74 CCNT1 (0.60) CDK9CCNT1CCNA2CDK2LMNA

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 8 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
EP-1901747-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN Ingenium Pharmaceuticals AG (DE) 2008-03-26 — — EP claimed
WO-2006125616-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS AG (DE) 2006-11-30 — — WO 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
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 CDK9 137/4885CCNT1 2075/4885CCNA2 2855/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 CDK9 97/4885CCNT1 81/4885CCNA2 22/4885

“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.

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