SCHEMBL2964515

SCHEMBL2964515

CNc1c(-c2ccccc2)c(Cl)nc2nccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.46
AKT2 P31751 4/20 0.46
GAA P10253 5/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
EPHB2 P29323 1/20 0.40
CSNK1E P49674 1/20 0.38
NTRK1 P04629 1/20 0.37
ADORA2A P29274 2/20 0.36
MAPT P10636 1/20 0.35
CHEK1 O14757 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
CDK8 P49336 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ACVR1 Q04771 1/20 0.35
MAP4K2 Q12851 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
SCHEMBL2970268 0.82 ADORA2A (0.41) GAAKDM4EALDH1A1HPGDEPHB2
SCHEMBL362657 0.82 GAA (0.40) AKT1AKT2GAAKDM4EALDH1A1
SCHEMBL361737 0.81 KDM4E (0.44) AKT1AKT2GAAKDM4EALDH1A1
SCHEMBL2978431 0.75 AKT1 (0.49) AKT1AKT2GAAKDM4EALDH1A1
SCHEMBL3702794 0.74 AKT1 (0.56) AKT1AKT2KDM4EHPGDRAB9A
SCHEMBL2978903 0.70 MAPT (0.42) GAAKDM4EALDH1A1HPGDADORA2A
SCHEMBL363046 0.67 ALDH1A1 (0.42) GAAKDM4EALDH1A1HPGDCSNK1E
SCHEMBL361849 0.66 MAP2K1 (0.39) AKT1AKT2GAAKDM4EALDH1A1
SCHEMBL12638627 0.65 PARP1 (0.39) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL3707772 0.65 KDM4E (0.43) GAAKDM4EALDH1A1ADORA2AMAPT

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 9 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
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
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 4/4885GAA 4289/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS AKT1 5/4885AKT2 4/4885GAA 4150/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR AKT1 9/4885AKT2 4/4885GAA 4289/4885

“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.