SCHEMBL4103449

SCHEMBL4103449

NC(=O)c1cccc(Nc2cc(-c3cccc(C=O)c3)ncn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.59
BCR P11274 5/20 0.59
MAPT P10636 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPK1 P28482 1/20 0.59
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
ADORA2A P29274 1/20 0.50
ROCK1 Q13464 1/20 0.47
CCNT1 O60563 3/20 0.45
CDK9 P50750 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL22458668 0.85 ABL1 (0.70) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL4103451 0.84 CCNT1 (0.57) ABL1BCRMAPTTP53CCNT1
SCHEMBL4108901 0.81 ABL1 (0.58) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL12907711 0.79 ABL1 (0.69) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL4107959 0.78 ABL1 (0.62) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL4114739 0.77 ABL1 (0.60) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL4104603 0.76 ABL1 (0.54) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL12607521 0.76 ERN1 (0.62) CCNT1CDK9
SCHEMBL4117227 0.76 ABL1 (0.68) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL23221307 0.76 ABL1 (0.58) ABL1BCRMAPTKDM4EMAPK1

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 7 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-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-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 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 (1 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-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 ABL1 537/4885BCR 4500/4885MAPT 3014/4885

“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.