SCHEMBL2972057

SCHEMBL2972057

Cc1nc2nc(-c3ccc(C=O)cc3)c(-c3ccccc3)c(C)n2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
USP2 O75604 2/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AKT1 P31749 4/20 0.44
AKT2 P31751 4/20 0.44
SLC16A3 O15427 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
ATM Q13315 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
BRD4 O60885 1/20 0.37
MEN1 O00255 4/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL13256520 0.85 AKT1 (0.47) KMT2AUSP2MAPTNPSR1AKT1
SCHEMBL2967130 0.85 KMT2A (0.38) KMT2AUSP2MAPTNPSR1AKT1
SCHEMBL13256519 0.83 AKT1 (0.49) KMT2AUSP2MAPTNPSR1AKT1
SCHEMBL13256521 0.83 AKT1 (0.40) KMT2AUSP2MAPTNPSR1AKT1
SCHEMBL13256518 0.80 AKT1 (0.39) KMT2AUSP2MAPTNPSR1AKT1
SCHEMBL13256562 0.80 AKT1 (0.54) KMT2AAKT1AKT2BRD4MEN1
SCHEMBL13256347 0.80 KMT2A (0.40) KMT2AMAPTAKT1AKT2KDM4E
SCHEMBL2978745 0.78 MAPT (0.43) MAPTAKT1AKT2KDM4EALDH1A1
SCHEMBL361709 0.77 AKT1 (0.54) AKT1AKT2
SCHEMBL2974749 0.74 AKT1 (0.47) KMT2AUSP2MAPTNPSR1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-8614218-B2 Fused bicyclic pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-24 US disclosed
US-20130317002-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 US disclosed
EP-2188291-B1 FUSED BICYCLIC PYRIMIDINES Bayer Pharma AG (DE) 2012-09-19 EP disclosed
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed
US-7776864-B2 Fused bicyclic pyrimidines BAYER SCHERING PHARMA AG (DE) 2010-08-17 US disclosed
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-07-22 US disclosed
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-05-28 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 (3 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-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR KMT2A 3129/4885USP2 4236/4885MAPT 616/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS KMT2A 3814/4885USP2 3944/4885MAPT 393/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR KMT2A 3129/4885USP2 4236/4885MAPT 616/4885

“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.