SCHEMBL10106162

SCHEMBL10106162

[C-]#[N+]Sc1ccc2nc(N)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.59
CYP3A4 P08684 2/20 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
PI4KA P42356 6/20 0.51
PI4KB Q9UBF8 6/20 0.51
PIK3CA P42336 6/20 0.51
PIK3CD O00329 6/20 0.50
PIK3CG P48736 5/20 0.50
PIP5K1C O60331 3/20 0.50
PIK3CB P42338 3/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.48
NPC1 O15118 2/20 0.47
SCN4A P35499 2/20 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) KCNH2CYP3A4RAB9AMAPTAXL
SCHEMBL1913966 0.78 KCNH2 (0.64) KCNH2CYP3A4RAB9AMAPTAXL
SCHEMBL7284884 0.75 CYP3A4 (0.67) KCNH2CYP3A4RAB9AMAPTAXL
SCHEMBL5532470 0.75 PIK3CA (0.82) RAB9AMAPTAXLGFERGAA
SCHEMBL29646253 0.75 PIK3CA (0.82) RAB9AMAPTAXLGFERGAA
SCHEMBL12568297 0.75 RAB9A (0.56) KCNH2CYP3A4RAB9AMAPTAXL
SCHEMBL2245983 0.74 KCNH2 (1.00) KCNH2CYP3A4RAB9AMAPTAXL
SCHEMBL2488566 0.74 CYP3A4 (0.65) KCNH2CYP3A4RAB9AMAPTAXL
SCHEMBL21709931 0.74 KCNH2 (0.63) KCNH2CYP3A4RAB9AMAPTAXL
SCHEMBL11098027 0.74 CYP3A4 (0.65) KCNH2CYP3A4RAB9AMAPTAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9115134-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2015-08-25 US disclosed
US-8546393-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2013-10-01 US disclosed
US-20120040987-A1 DERIVATIVES OF 6-(6-NH-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2012-02-16 US disclosed
US-20100298315-A1 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMNACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-11-25 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-20150344484-A1 NOVEL 6-TRIAZOLOPYRIDAZINE SULFANYL BENZOTHIAZOLE DERIVATIVES AS MET INHIBITORS MET, TPMT, MERTK KCNH2 3080/4885CYP3A4 224/4885RAB9A 1471/4885
US-20120040987-A1 DERIVATIVES OF 6-(6-NH-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS MET, NR1I2, NCOR2 KCNH2 1185/4885CYP3A4 127/4885RAB9A 3498/4885
US-20100298315-A1 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMNACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS BMX, MET, TPMT KCNH2 2313/4885CYP3A4 47/4885RAB9A 2280/4885

“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.