SCHEMBL2978671

SCHEMBL2978671

Clc1nc2ccnn2cc1-c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.40
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
CYP2A6 P11509 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.36
PPARA Q07869 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TDO2 P48775 1/20 0.36
MAOB P27338 2/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
FYN P06241 1/20 0.34
ENPP1 P22413 1/20 0.34
AR P10275 1/20 0.33
CYP2E1 P05181 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
SCHEMBL2968326 0.80 AKT1 (0.39) KDRCYP2A6
SCHEMBL4789877 0.77 IKBKB (0.47) KDRFLT1FLT4CYP2A6CYP2B6
SCHEMBL2974547 0.74 KDR (0.34) KDRFLT1FLT4CYP2A6CYP2B6
SCHEMBL2972065 0.73 PDE10A (0.40) CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19
SCHEMBL1290194 0.71 PDE10A (0.42)
SCHEMBL15690266 0.67 PDE10A (0.35) CYP2C9
SCHEMBL15690188 0.67 PDE10A (0.35)
SCHEMBL9953926 0.66 CYP2A6 (0.50) CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19
SCHEMBL5468136 0.65 PDE10A (0.53) CYP2A6PIK3CGFYNARADORA2A
SCHEMBL11157418 0.64 KDR (0.42) KDRFLT1FLT4CYP2A6CYP2B6

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 10 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
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 KDR 263/4885FLT1 413/4885FLT4 390/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS KDR 390/4885FLT1 439/4885FLT4 516/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR KDR 263/4885FLT1 413/4885FLT4 390/4885

“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.