SCHEMBL10128053

SCHEMBL10128053

[C-]#[N+]Sc1cc2sc(N)nc2cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 3/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
KCNH2 Q12809 1/20 0.39
SCN4A P35499 3/20 0.39
EPHX2 P34913 1/20 0.39
RAB9A P51151 5/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 2/20 0.38
NPC1 O15118 4/20 0.36
CYP1A2 P05177 2/20 0.36
PKM P14618 2/20 0.36

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
SCHEMBL29801372 0.76 AXL (0.60) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL210148 0.76 AXL (0.60) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL614335 0.76 AXL (0.45) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL10106162 0.72 KCNH2 (0.59) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3104846 0.70 GAA (0.53) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL2911354 0.70 SMN1; SMN2 (0.72) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4071678 0.70 AXL (0.53) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1829710 0.70 AXL (0.53) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9885168 0.70 SMN1; SMN2 (0.71) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9963480 0.68 SMN1; SMN2 (0.68) AXLGFERSMN1; SMN2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165326-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO BENZOTHIAZOLES AND 5-FLUORO BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2012-06-28 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-20120165326-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO BENZOTHIAZOLES AND 5-FLUORO BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS MET, NR4A1, NR1I3 AXL 122/4885GFER 478/4885SMN1; SMN2 4204/4885

“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.