SCHEMBL4432340

SCHEMBL4432340

Cc1[c]cc(Nc2cc(-c3cccc([N+](N)=O)c3)ncn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.52
CDK9 P50750 14/20 0.52
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
BACE1 P56817 2/20 0.43
ABL1 P00519 3/20 0.42
BCR P11274 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4432349 0.75 CCNT1 (0.67) CCNT1CDK9CYP3A4TSHRBACE1
SCHEMBL4432344 0.72 CCNT1 (0.66) CCNT1CDK9BACE1ABL1BCR
SCHEMBL4761268 0.70 USP2 (0.69) CCNT1CDK9USP2CYP1A2CYP3A4
SCHEMBL12907698 0.69 CYP2D6 (0.55) CCNT1CDK9USP2CYP1A2CYP3A4
SCHEMBL4665763 0.69 CCNT1 (0.59) CCNT1CDK9USP2CYP1A2CYP3A4
SCHEMBL12907711 0.68 ABL1 (0.69) CCNT1CDK9USP2CYP1A2CYP3A4
SCHEMBL20816294 0.67 CCNT1 (0.61) CCNT1CDK9CYP1A2CYP2D6CYP2C19
SCHEMBL4102047 0.67 CCNT1 (0.69) CCNT1CDK9ABL1BCR
SCHEMBL3402768 0.67 ABL1 (0.69) CCNT1CDK9ABL1BCRKDM4E
SCHEMBL12907662 0.66 ABL1 (0.71) CCNT1CDK9USP2CYP1A2CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-19 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
EP-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
WO-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK2, CDK6, CDK5 CCNT1 45/4885CDK9 8/4885USP2 2262/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 CCNT1 45/4885CDK9 7/4885USP2 2868/4885

“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.