SCHEMBL4103451

SCHEMBL4103451

Nc1cccc(Nc2cc(-c3cccc(C=O)c3)ncn2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 0.57
CDK9 P50750 17/20 0.57
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL4103449 0.84 ABL1 (0.59) CCNT1CDK9ABL1BCRTP53
SCHEMBL25735746 0.79 MEN1 (0.57) CCNT1CDK9ABL1BCRMAPT
SCHEMBL22584696 0.78 ABL1 (0.60) CCNT1CDK9ABL1BCRTP53
SCHEMBL4108904 0.78 CCNT1 (0.54) CCNT1CDK9ABL1BCRTP53
SCHEMBL4104699 0.77 CCNT1 (0.62) CCNT1CDK9ABL1BCRUSP2
SCHEMBL4117487 0.76 CCNT1 (0.67) CCNT1CDK9ABL1BCRUSP2
SCHEMBL4109231 0.76 CCNT1 (0.77) CCNT1CDK9TP53USP2CYP1A2
SCHEMBL25736296 0.76 ABL1 (0.71) ABL1BCRMAPT
SCHEMBL4098079 0.76 BACE1 (0.75) CCNT1CDK9ABL1BCRUSP2
SCHEMBL4102047 0.75 CCNT1 (0.69) CCNT1CDK9ABL1BCR

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 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.