SCHEMBL2799672

SCHEMBL2799672

CN1CCN(CCNC(=O)Nc2nc3ccc(SC#N)cc3s2)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.60
MET P08581 13/20 0.53
CYP3A4 P08684 10/20 0.53
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL3404307 0.93 MET (0.54) ABL1METCYP3A4
SCHEMBL612904 0.90 MET (0.64) ABL1METCYP3A4ALDH1A1POLB
SCHEMBL3410979 0.86 MET (0.48) ABL1METCYP3A4
SCHEMBL2799688 0.83 ABL1 (0.67) ABL1METCYP3A4ALDH1A1POLB
SCHEMBL23900995 0.82 ABL1 (0.66) ABL1METCYP3A4ALDH1A1POLB
SCHEMBL6068007 0.82 ABL1 (0.60) ABL1
SCHEMBL6068423 0.80 ABL1 (0.56) ABL1ALDH1A1POLB
SCHEMBL3405371 0.80 MET (0.56) ABL1MET
SCHEMBL1581382 0.79 MET (0.64) ABL1METCYP3A4
SCHEMBL6067859 0.77 GSK3B (0.54) ABL1METCYP3A4

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 10 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
CN-101801973-B 6-triazolopyridazinesulfanylbenzothiazole and benzimidazole derivatives, method for the production thereof, use thereof as medicaments and pharmaceutical compositions, and use thereof as MET inhibitors SANOFI AVENTIS 2014-03-12 CN 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
CN-101801973-A Novel 6-triazolopyridazinesulfanylbenzothiazole and benzimidazole derivatives, method for the production thereof, use thereof as medicaments and pharmaceutical compositions, and novel use thereof as MET inhibitors SANOFI AVENTIS 2010-08-11 CN 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 ABL1 8/4885MET 1/4885CYP3A4 224/4885
US-20140005189-A1 NOVEL 6-TRIAZOLOPYRIDAZINE SULFANYL BENZOTHIAZOLE DERIVATIVES AS MET INHIBITORS MET, TPMT, MERTK ABL1 8/4885MET 1/4885CYP3A4 224/4885
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 ABL1 20/4885MET 2/4885CYP3A4 47/4885

“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.