SCHEMBL1428565

SCHEMBL1428565

OCc1ccc(-c2nc3sccn3c2-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.65
PTGS1 P23219 3/20 0.65
ERBB4 Q15303 2/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
FGFR1 P11362 1/20 0.54
FRK P42685 1/20 0.54
MAPK8 P45983 1/20 0.54
MAPK9 P45984 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CSNK1D P48730 1/20 0.54
GSK3B P49841 1/20 0.54
CSNK1G2 P78368 1/20 0.54
PRKCD Q05655 1/20 0.54
MINK1 Q8N4C8 1/20 0.54
PRKD2 Q9BZL6 1/20 0.54
CSNK1G1 Q9HCP0 1/20 0.54
MAP3K20 Q9NYL2 1/20 0.54
CSNK1G3 Q9Y6M4 1/20 0.54
NR1I3 Q14994 6/20 0.51

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
SCHEMBL7851176 0.87 PTGS2 (0.76) PTGS2PTGS1ERBB4PRKD3MAP4K4
SCHEMBL1691880 0.80 NR1I3 (0.56) PTGS2PTGS1NR1I3IDO1HSD17B10
SCHEMBL22648873 0.79 DYRK1A (0.56) PTGS2PTGS1NR1I3IDO1HSD17B10
SCHEMBL14209732 0.79 PTGS2 (0.61) PTGS2PTGS1ERBB4PRKD3MAP4K4
SCHEMBL14209812 0.78 PTGS2 (0.64) PTGS2PTGS1ERBB4PRKD3MAP4K4
SCHEMBL14209710 0.78 PTGS2 (0.60) PTGS2PTGS1ERBB4PRKD3MAP4K4
SCHEMBL1429234 0.78 PTGS2 (0.64) PTGS2PTGS1ERBB4PRKD3MAP4K4
SCHEMBL3246464 0.77 PTGS2 (1.00) PTGS2PTGS1ERBB4PRKD3MAP4K4
SCHEMBL3240378 0.77 PTGS2 (1.00) PTGS2PTGS1ERBB4PRKD3MAP4K4
SCHEMBL18203558 0.77 AKT1 (0.56) NR1I3NR1I2AKT1AKT2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9387204-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-12 US disclosed
US-20140088110-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
US-8592591-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-26 US disclosed
EP-2176259-B1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AG (DE) 2011-03-30 EP disclosed
EP-2176259-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-21 EP disclosed
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US disclosed
EP-2062893-A1 Fused imidazoles for cancer treatment Bayer Schering Pharma AG (DE) 2009-05-27 EP disclosed
WO-2009021990-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT 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 (2 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-20140088110-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 PTGS2 2828/4885PTGS1 2383/4885ERBB4 169/4885
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 PTGS2 2828/4885PTGS1 2383/4885ERBB4 169/4885

“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.