SCHEMBL2765151

SCHEMBL2765151

O=C(CCCN1CCOCC1)Nc1nc2ccc(S)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.62
HTT P42858 2/20 0.60
CLK1 P49759 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
AHR P35869 1/20 0.56
MET P08581 1/20 0.56
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
ABL1 P00519 1/20 0.50

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
SCHEMBL3146436 0.89 CLK1 (0.77) PIK3CAHTTCLK1KMT2AALDH1A1
SCHEMBL14189710 0.89 SMN1; SMN2 (0.77) PIK3CAHTTCLK1KMT2AALDH1A1
SCHEMBL2782362 0.86 DRD2 (0.64) PIK3CAHTTCLK1KMT2ASMN1; SMN2
SCHEMBL2763569 0.84 MET (0.59) PIK3CAHTTCLK1KMT2AALDH1A1
SCHEMBL613934 0.83 ABL1 (0.69) HTTCLK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3145930 0.83 PIK3CA (0.77) PIK3CAHTTCLK1KMT2AALDH1A1
SCHEMBL3138028 0.82 PIK3CA (0.84) PIK3CAHTTCLK1KMT2AALDH1A1
SCHEMBL14189709 0.79 RAB9A (0.69) PIK3CAHTTCLK1KMT2AALDH1A1
SCHEMBL3146355 0.78 PIK3CA (0.67) PIK3CAHTTCLK1KMT2AALDH1A1
SCHEMBL14189711 0.78 RAB9A (0.67) PIK3CAHTTCLK1KMT2AALDH1A1

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 11 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 claimed
US-20150344484-A1 NOVEL 6-TRIAZOLOPYRIDAZINE SULFANYL BENZOTHIAZOLE DERIVATIVES AS MET INHIBITORS SANOFI-AVENTIS (FR) 2015-12-03 US claimed
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-20140005189-A1 NOVEL 6-TRIAZOLOPYRIDAZINE SULFANYL BENZOTHIAZOLE DERIVATIVES AS MET INHIBITORS SANOFI (FR) 2014-01-02 US disclosed
EP-2178881-B1 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS SANOFI SA (FR) 2013-10-02 EP disclosed
US-8546393-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2013-10-01 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
EP-2178881-A2 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS Sanofi-Aventis (FR) 2010-04-28 EP disclosed
WO-2009056692-A2 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2009-05-07 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 (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 PIK3CA 1064/4885HTT 3740/4885CLK1 2145/4885
US-20140005189-A1 NOVEL 6-TRIAZOLOPYRIDAZINE SULFANYL BENZOTHIAZOLE DERIVATIVES AS MET INHIBITORS MET, TPMT, MERTK PIK3CA 1064/4885HTT 3740/4885CLK1 2145/4885
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 PIK3CA 1227/4885HTT 4513/4885CLK1 1203/4885

“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.