SCHEMBL2964668

SCHEMBL2964668

CC(C)c1nc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
RECQL P46063 2/20 0.35
HAVCR2 Q8TDQ0 2/20 0.35
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 2/20 0.32
NPC1 O15118 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL361527 0.82 MAPT (0.38) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL2969079 0.78 KDM4E (0.49) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL2964035 0.77 ALDH1A1 (0.43) PTGS1PTGS2RECQLFABP3FABP4
SCHEMBL2970170 0.74 PTGS1 (0.36) PTGS1PTGS2HAVCR2FABP3FABP4
SCHEMBL10279750 0.73 PDE4D (0.42) FABP4FABP5TP53POLB
Dimethylamine SCHEMBL8007963 0.73 ALDH1A1 (0.32) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL8007955 0.72 NPC1 (0.32) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL2967067 0.71 AKT1 (0.45) PTGS1PTGS2RECQLMAPTKDM4E
SCHEMBL364249 0.71 AKT1 (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8007959 0.71 KDM4E (0.57) KDM4EALDH1A1HPGDMAPK1HTT

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
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
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
EP-2188291-B1 FUSED BICYCLIC PYRIMIDINES Bayer Pharma AG (DE) 2012-09-19 EP disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO 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
EP-2188291-A2 FUSED BICYCLIC PYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-05-26 EP disclosed
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-05-28 US disclosed
WO-2009021992-A2 FUSED BICYCLIC PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO 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 (4 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-20130184273-A1 BICYCLIC PYRIMIDINES PIK3CA, TYMS, PIK3CD PTGS1 2350/4885PTGS2 2391/4885RECQL 654/4885
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR PTGS1 3569/4885PTGS2 3832/4885RECQL 867/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS PTGS1 1687/4885PTGS2 1950/4885RECQL 958/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR PTGS1 3569/4885PTGS2 3832/4885RECQL 867/4885

“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.