SCHEMBL4101905

SCHEMBL4101905

Nc1ccc(Nc2cc(-c3cccc(CO)c3)ncn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.60
CDK9 P50750 15/20 0.60
ABL1 P00519 3/20 0.54
BCR P11274 3/20 0.54
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL4101900 0.86 ABL1 (0.60) CCNT1CDK9ABL1BCRMAPT
SCHEMBL4104616 0.84 CCNT1 (0.55) CCNT1CDK9ABL1BCRTP53
SCHEMBL4103830 0.84 CCNT1 (0.55) CCNT1CDK9ABL1BCRTP53
SCHEMBL4666194 0.81 TP53 (0.61) CCNT1CDK9ABL1BCRMAPT
SCHEMBL8514905 0.79 CCNT1 (0.61) CCNT1CDK9ABL1BCRMAPT
SCHEMBL4117234 0.79 ABL1 (0.69) CCNT1CDK9ABL1BCRMAPT
SCHEMBL6533277 0.78 PIK3CA (0.49) CCNT1CDK9
SCHEMBL8515866 0.77 CYP3A4 (0.70) CCNT1CDK9MAPTTP53KDM4E
SCHEMBL4113685 0.76 BACE1 (0.74) CCNT1CDK9ABL1BCRKDM4E
SCHEMBL4114071 0.75 CCNT1 (0.67) CCNT1CDK9ABL1BCRMAPT

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
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 CCNT1 81/4885CDK9 97/4885ABL1 537/4885

“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.