SCHEMBL3406870

SCHEMBL3406870

CCOc1ccc2nnc(Sc3ccc4nc(NC(=O)CCOC)sc4c3)n2n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.64
CYP3A4 P08684 7/20 0.64
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL2763570 0.89 MET (0.70) METCYP3A4KDM4EMAPTTHRB
SCHEMBL3719705 0.86 MET (0.66) METCYP3A4
SCHEMBL3724249 0.83 MET (0.64) METCYP3A4
SCHEMBL2801915 0.83 MET (0.70) METCYP3A4NPC1RAB9AMAPT
SCHEMBL612830 0.81 MET (0.69) METCYP3A4
SCHEMBL2763492 0.81 MET (0.60) METCYP3A4
SCHEMBL2801207 0.78 MET (1.00) METCYP3A4
SCHEMBL3723577 0.78 MET (0.68) METCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL2763215 0.78 MET (0.61) METCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL2763301 0.78 MET (0.55) METCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115134-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2015-08-25 US claimed
US-20140005189-A1 NOVEL 6-TRIAZOLOPYRIDAZINE SULFANYL BENZOTHIAZOLE DERIVATIVES AS MET INHIBITORS SANOFI (FR) 2014-01-02 US claimed
US-8546393-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2013-10-01 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
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

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 MET 1/4885CYP3A4 224/4885NPC1 4725/4885
US-20140005189-A1 NOVEL 6-TRIAZOLOPYRIDAZINE SULFANYL BENZOTHIAZOLE DERIVATIVES AS MET INHIBITORS MET, TPMT, MERTK MET 1/4885CYP3A4 224/4885NPC1 4725/4885
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 MET 2/4885CYP3A4 47/4885NPC1 4613/4885

“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.