SCHEMBL2979196

SCHEMBL2979196

O=Cc1ccc(-c2nc3ncnn3cc2-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPK1 P28482 2/20 0.36
DRD1 P21728 3/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AKT1 P31749 7/20 0.34
PTGS2 P35354 1/20 0.33
AKT2 P31751 3/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL868418 0.80 TAAR1 (0.42) ALDH1A1KDM4EMAPK1MAPTAKT1
SCHEMBL2974749 0.80 AKT1 (0.47) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL2976769 0.79 AKT1 (0.43) ALDH1A1KDM4EMAPK1DRD1DRD2
SCHEMBL2975626 0.79 MEN1 (0.42) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL538387 0.77 AKT1 (0.58) AKT1AKT2
SCHEMBL2977680 0.77 AKT1 (0.48) ALDH1A1KDM4EDRD1DRD2DRD4
SCHEMBL3708265 0.76 AKT1 (0.47) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL2970584 0.76 MEN1 (0.40) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL2970175 0.76 AKT1 (0.50) ALDH1A1KDM4EMAPK1DRD1MEN1
SCHEMBL3706839 0.76 KDM4E (0.46) ALDH1A1KDM4EMAPK1DRD1GAA

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 15 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
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 ALDH1A1 3182/4885KDM4E 3173/4885MAPK1 53/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS ALDH1A1 3442/4885KDM4E 3716/4885MAPK1 54/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR ALDH1A1 3182/4885KDM4E 3173/4885MAPK1 53/4885

“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.