SCHEMBL3405702

SCHEMBL3405702

CC(C)(C)N(C(=O)O)c1nc2ccc(SC#N)cc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
CACNA1B Q00975 5/20 0.37
CACNA1H O95180 3/20 0.37
PPARA Q07869 5/20 0.36
TMPRSS15 P98073 3/20 0.35
DYRK1A Q13627 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL15280050 0.85 SMN1; SMN2 (0.43) HTTCACNA1BCACNA1HTMPRSS15DYRK1A
SCHEMBL615091 0.80 LMNA (0.37) HTTCACNA1BCACNA1HNPC1LMNA
SCHEMBL2482877 0.78 HTT (0.61) HTTDYRK1AHSD17B1HSD17B2
SCHEMBL3410201 0.77 HTT (0.42) HTTPPARATMPRSS15DYRK1ANPC1
SCHEMBL20595677 0.77 PPARA (0.55) HTTPPARADYRK1ANPC1LMNA
SCHEMBL3402361 0.76 CACNA1B (0.42) HTTCACNA1BCACNA1HLMNATP53
SCHEMBL1829706 0.73 DYRK1A (0.51) HTTDYRK1ANPC1TP53RAB9A
SCHEMBL12281460 0.72 SMN1; SMN2 (0.51) HTTNPC1LMNATP53RAB9A
SCHEMBL3409205 0.72 DYRK1A (0.67) HTTDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL2763251 0.71 RAB9A (0.51) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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 HTT 4513/4885CACNA1B 2214/4885CACNA1H 2342/4885

“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.