SCHEMBL2969936

SCHEMBL2969936

Cc1cnn2cc(-c3ccccc3)c(-c3ccc(C=O)cc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.39
AKT2 P31751 1/20 0.39
KDR P35968 2/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
GAK O14976 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
SCHEMBL2973681 0.86 AKT1 (0.49) AKT1AKT2KDRALDH1A1MAPT
SCHEMBL2971224 0.85 AKT1 (0.42) AKT1AKT2KDRALDH1A1MAPT
SCHEMBL2966156 0.85 AKT1 (0.37) AKT1AKT2KDRALDH1A1MAPT
SCHEMBL2966310 0.83 AKT1 (0.37) AKT1AKT2ALDH1A1MAPT
SCHEMBL2973125 0.82 AKT1 (0.46) AKT1ALDH1A1MAPT
SCHEMBL2964259 0.81 AKT1 (0.36) AKT1AKT2KDRALDH1A1MAPT
SCHEMBL539014 0.78 AKT1 (0.61) AKT1AKT2
SCHEMBL2974749 0.78 AKT1 (0.47) AKT1AKT2ALDH1A1MAPT
SCHEMBL2976769 0.77 AKT1 (0.43) AKT1AKT2ALDH1A1MAPT
SCHEMBL2968231 0.76 AKT1 (0.45) AKT1AKT2ALDH1A1MAPT

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 13 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
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 AKT1 9/4885AKT2 4/4885KDR 263/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS AKT1 5/4885AKT2 4/4885KDR 390/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR AKT1 9/4885AKT2 4/4885KDR 263/4885

“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.