SCHEMBL361737

SCHEMBL361737

Clc1nc2nccn2c(Cl)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
RAB9A P51151 2/20 0.44
GLA P06280 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHEK1 O14757 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
CDK8 P49336 1/20 0.39
MAP2K1 Q02750 1/20 0.39
ACVR1 Q04771 1/20 0.39
MAP4K2 Q12851 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
AURKB Q96GD4 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
NPC1 O15118 1/20 0.38

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 0.86 ADORA2A (0.41) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL363046 0.84 ALDH1A1 (0.42) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL2964515 0.81 AKT1 (0.46) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL3707772 0.79 KDM4E (0.43) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL5247989 0.78 RAB9A (0.42) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL362657 0.77 GAA (0.40) KDM4EALDH1A1GAASMN1; SMN2PRKACA
SCHEMBL5249517 0.75 SMN1; SMN2 (0.40) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL362165 0.73 ADORA3 (0.50) KDM4EALDH1A1HPGDADORA2A
SCHEMBL2978903 0.72 MAPT (0.42) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL361849 0.71 MAP2K1 (0.39) KDM4EALDH1A1GAARAB9AGLA

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 14 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
EP-2593458-A1 BICYCLIC PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP 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
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 (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 KDM4E 2817/4885ALDH1A1 1872/4885GAA 1438/4885
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR KDM4E 3173/4885ALDH1A1 3182/4885GAA 4289/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS KDM4E 3716/4885ALDH1A1 3442/4885GAA 4150/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR KDM4E 3173/4885ALDH1A1 3182/4885GAA 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.