SCHEMBL4432349

SCHEMBL4432349

Cc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1N

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 13/20 0.67
CDK9 P50750 13/20 0.67
EGFR P00533 1/20 0.48
TNNI3K Q59H18 1/20 0.48
BACE1 P56817 2/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
PLK1 P53350 1/20 0.46
ROCK1 Q13464 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
SCHEMBL4432344 0.85 CCNT1 (0.66) CCNT1CDK9EGFRTNNI3KBACE1
SCHEMBL4102047 0.83 CCNT1 (0.69) CCNT1CDK9
SCHEMBL14050409 0.79 CCNT1 (0.57) CCNT1CDK9EGFRTNNI3KBACE1
SCHEMBL20816294 0.79 CCNT1 (0.61) CCNT1CDK9EGFRTNNI3KPLK1
SCHEMBL4665763 0.79 CCNT1 (0.59) CCNT1CDK9EGFRTNNI3KCYP3A4
SCHEMBL28054820 0.77 NPC1 (0.56) CCNT1CDK9TSHR
SCHEMBL3402768 0.77 ABL1 (0.69) CCNT1CDK9
SCHEMBL4432340 0.75 CCNT1 (0.52) CCNT1CDK9BACE1CYP3A4TSHR
SCHEMBL4102041 0.70 CCNT1 (0.64) CCNT1CDK9
SCHEMBL3562948 0.70 CYP1A2 (0.47) CCNT1CDK9EGFRCYP3A4TSHR

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 8/4885EGFR 1885/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 CCNT1 45/4885CDK9 7/4885EGFR 1589/4885

“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.