SCHEMBL5653214

SCHEMBL5653214

NC(=O)c1sc2nccc(OCC(=O)O)c2c1N

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.74
LIMK1 P53667 2/20 0.59
CDK8 P49336 11/20 0.55
CDK19 Q9BWU1 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CHUK O15111 1/20 0.48
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4659211 0.85 IKBKB (1.00) IKBKBLIMK1CDK8CDK19ALDH1A1
SCHEMBL4657885 0.84 IKBKB (0.70) IKBKBLIMK1CDK8CDK19ALDH1A1
SCHEMBL4656539 0.83 IKBKB (1.00) IKBKBLIMK1CDK8CDK19ALDH1A1
SCHEMBL4658241 0.82 IKBKB (1.00) IKBKBLIMK1CDK8CDK19ALDH1A1
SCHEMBL4658024 0.79 IKBKB (0.74) IKBKBLIMK1CDK8CDK19ALDH1A1
SCHEMBL4657097 0.78 IKBKB (0.72) IKBKBLIMK1CDK8CDK19ALDH1A1
SCHEMBL4657771 0.78 IKBKB (0.65) IKBKBLIMK1CDK8CDK19ALDH1A1
SCHEMBL4656880 0.78 IKBKB (0.64) IKBKBLIMK1CDK8CDK19ALDH1A1
SCHEMBL16071478 0.77 LIMK1 (0.72) IKBKBLIMK1CDK8CDK19ALDH1A1
SCHEMBL5231314 0.76 LIMK1 (0.70) IKBKBLIMK1CDK8CDK19ALDH1A1

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-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 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-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 IKBKB 1715/4885LIMK1 3044/4885CDK8 2017/4885

“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.