SCHEMBL2978431

SCHEMBL2978431

CNc1c(-c2ccccc2)c(-c2ccc(C=O)cc2)nc2nccn12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.49
AKT2 P31751 5/20 0.49
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 5/20 0.44
NTRK1 P04629 1/20 0.43
EPHB2 P29323 1/20 0.40
BRD4 O60885 1/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3808855 0.88 AKT1 (0.51) AKT1AKT2ALDH1A1KDM4EHPGD
SCHEMBL2978745 0.85 MAPT (0.43) AKT1AKT2ALDH1A1KDM4EHPGD
SCHEMBL3705102 0.82 AKT1 (0.49) AKT1AKT2ALDH1A1KDM4EHPGD
SCHEMBL13256520 0.78 AKT1 (0.47) AKT1AKT2ALDH1A1KDM4EHPGD
SCHEMBL3709664 0.78 AKT1 (0.59) AKT1AKT2ALDH1A1KDM4EHPGD
SCHEMBL2964515 0.75 AKT1 (0.46) AKT1AKT2ALDH1A1KDM4EHPGD
SCHEMBL3708083 0.75 ADORA2A (0.51) ALDH1A1BRD4ADORA2AMEN1KMT2A
SCHEMBL1428218 0.73 AKT1 (0.62) AKT1AKT2ALDH1A1KDM4EHPGD
SCHEMBL13256563 0.73 AKT1 (0.42) AKT1AKT2MAPTKMT2A
SCHEMBL3800463 0.70 AKT1 (0.60) AKT1AKT2KDM4EMAPTADORA2A

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 16 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
CN-102317291-A Fused pyrimidines BAYER SCHERING PHARMA AG 2012-01-11 CN 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
EP-2050748-A1 Novel fused pyrimidines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP 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 AKT1 9/4885AKT2 4/4885ALDH1A1 3182/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS AKT1 5/4885AKT2 4/4885ALDH1A1 3442/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR AKT1 9/4885AKT2 4/4885ALDH1A1 3182/4885

“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.