SCHEMBL4432344

SCHEMBL4432344

Cc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 11/20 0.66
CDK9 P50750 11/20 0.66
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
EGFR P00533 1/20 0.45
TNNI3K Q59H18 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
BACE1 P56817 1/20 0.44

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 0.85 CCNT1 (0.67) CCNT1CDK9EGFRTNNI3KBACE1
SCHEMBL4102041 0.84 CCNT1 (0.64) CCNT1CDK9MAPTKDM4EABL1
SCHEMBL20816294 0.78 CCNT1 (0.61) CCNT1CDK9MAPTALDH1A1NPC1
SCHEMBL14050409 0.76 CCNT1 (0.57) CCNT1CDK9EGFRTNNI3KBACE1
SCHEMBL4665763 0.75 CCNT1 (0.59) CCNT1CDK9MAPTALDH1A1MEN1
SCHEMBL3402768 0.73 ABL1 (0.69) CCNT1CDK9MAPTKDM4EABL1
SCHEMBL12907711 0.73 ABL1 (0.69) CCNT1CDK9MAPTKDM4EABL1
SCHEMBL4096934 0.72 CDK9 (0.64) CCNT1CDK9ALDH1A1LMNA
SCHEMBL4432340 0.72 CCNT1 (0.52) CCNT1CDK9MAPTKDM4EABL1
SCHEMBL28054820 0.71 NPC1 (0.56) CCNT1CDK9MAPTALDH1A1NPC1

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 8/4885MAPT 1989/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 CCNT1 45/4885CDK9 7/4885MAPT 1489/4885

“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.