SCHEMBL614629

SCHEMBL614629

N#CSc1ccc2nc(N)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.59
CYP2C9 P11712 1/20 0.58
CYP3A4 P08684 4/20 0.54
RAB9A P51151 3/20 0.51
MAPT P10636 1/20 0.51
AXL P30530 1/20 0.51
GFER P55789 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 2/20 0.49
PI4KA P42356 3/20 0.47
PI4KB Q9UBF8 3/20 0.47
NPC1 O15118 2/20 0.47
SCN4A P35499 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PIK3CA P42336 2/20 0.47
ALDH1A1 P00352 2/20 0.47
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5533752 0.83 KCNH2 (0.70) KCNH2CYP2C9CYP3A4RAB9AMAPT
SCHEMBL3410170 0.82 CYP2C9 (0.40) KCNH2CYP2C9CYP3A4RAB9AMAPT
SCHEMBL12281460 0.81 SMN1; SMN2 (0.51) CYP2C9RAB9AMAPTGAAHTT
SCHEMBL13261806 0.81 CYP2C9 (0.39) KCNH2CYP2C9CYP3A4MAPTCYP1A2
SCHEMBL1913966 0.78 KCNH2 (0.64) KCNH2CYP2C9CYP3A4RAB9AMAPT
SCHEMBL11700287 0.78 RAB9A (0.52) KCNH2CYP2C9CYP3A4RAB9AMAPT
SCHEMBL11700293 0.78 CYP2C9 (0.62) KCNH2CYP2C9CYP3A4RAB9AMAPT
SCHEMBL7284884 0.75 CYP3A4 (0.67) KCNH2CYP2C9CYP3A4RAB9AMAPT
SCHEMBL2763498 0.75 CYP2C9 (0.36) KCNH2CYP2C9CYP3A4MAPTGFER
SCHEMBL2001976 0.75 APP (0.63) CYP2C9CYP3A4RAB9AMAPTAXL

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 144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528856-B Disperse azo dyes DYSTAR TEXTILFARBEN GMBH & CO 2013-07-03 CN claimed
EP-2084232-B1 DISPERSE AZO DYESTUFFS DYSTAR COLOURS DISTRIB GMBH (DE) 2012-08-15 EP claimed
US-7871446-B2 Disperse azo dyestuffs DyStar Colours Deutschland KG (DE) 2011-01-18 US claimed
US-20100009081-A1 3-{[4-(2-Chloro-4-nitrophenylazo)-phenyl]-ethyl-amino}-2-methyl-propionic acid vinyl ester; ink jet printing; dyeing and printing of synthetic textile material and fiber blends; dyeings on polyester with improved washfastness properties obtained if dyestuffs contain a vinyl ester group in coupling DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND (DE) 2010-01-14 US claimed
CN-101528856-A Disperse azo dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2009-09-09 CN claimed
EP-2084232-A1 DISPERSE AZO DYESTUFFS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-08-05 EP claimed
WO-2008055846-A1 DISPERSE AZO DYESTUFFS DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2008-05-15 WO claimed
EP-1678259-B1 DISPERSE AZO DYESTUFFS DYSTAR COLOURS DISTRIB GMBH (DE) 2016-08-17 EP disclosed
EP-2166060-B1 Stabilized aqueous polymer compositions TOUGAS OILFIELD SOLUTIONS GMBH (DE) 2016-08-10 EP disclosed
US-9321777-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2016-04-26 US disclosed
US-9321777-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2016-04-26 US disclosed
US-9321777-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2016-04-26 US disclosed
US-20150344484-A1 NOVEL 6-TRIAZOLOPYRIDAZINE SULFANYL BENZOTHIAZOLE DERIVATIVES AS MET INHIBITORS SANOFI-AVENTIS (FR) 2015-12-03 US disclosed
US-3987027-A DISPERSE AZO DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-10-19 US disclosed
US-3971771-A DYES FOR POLYESTERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed
US-3964862-A Process for dyeing and printing textile materials of synthetic organic fibers CIBA-GEIGY AG (CH) 1976-06-22 US disclosed
US-3963431-A POLYESTER CIBA-GEIGY AG (CH) 1976-06-15 US disclosed
US-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 US disclosed
US-3931145-A POLYESTER GAF CORPORATION (US) 1976-01-06 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 (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-20150344484-A1 NOVEL 6-TRIAZOLOPYRIDAZINE SULFANYL BENZOTHIAZOLE DERIVATIVES AS MET INHIBITORS MET, TPMT, MERTK KCNH2 3080/4885CYP2C9 308/4885CYP3A4 224/4885
US-20100009081-A1 3-{[4-(2-Chloro-4-nitrophenylazo)-phenyl]-ethyl-amino}-2-methyl-propionic acid vinyl ester; ink jet printing; dyeing and printing of synthetic textile material and fiber blends; dyeings on polyester with improved washfastness properties obtained if dyestuffs contain a vinyl ester group in coupling WDR77, PRMT7, CBR3 KCNH2 1771/4885CYP2C9 866/4885CYP3A4 128/4885

“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.