SCHEMBL14009146

SCHEMBL14009146

CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.43
▸ ICAM1 P05362 1/20 0.42
▸ SELE P16581 1/20 0.42
▸ VCAM1 P19320 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ S1PR1 P21453 2/20 0.41
▸ AAK1 Q2M2I8 1/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 2/20 0.39

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
SCHEMBL14009100 0.88 NAMPT (0.43) ROCK1ICAM1SELEVCAM1SYK
SCHEMBL14009160 0.88 SMYD3 (0.43) ROCK1SYKS1PR1PDE7ACTSL
SCHEMBL14009266 0.87 S1PR1 (0.40) ROCK1ICAM1SELEVCAM1SYK
SCHEMBL14609432 0.87 ROCK1 (0.45) ROCK1ICAM1SELEVCAM1SYK
SCHEMBL14609404 0.87 ROCK1 (0.45) ROCK1ICAM1SELEVCAM1S1PR1
SCHEMBL14009094 0.86 ROCK1 (0.42) ROCK1ICAM1SELEVCAM1SYK
SCHEMBL14009122 0.86 S1PR1 (0.41) ROCK1ICAM1SELEVCAM1SYK
SCHEMBL14008925 0.86 SMN1; SMN2 (0.54) ROCK1ICAM1SELEVCAM1LMNA
SCHEMBL14009163 0.85 ROCK1 (0.51) ROCK1ICAM1SELEVCAM1S1PR1
SCHEMBL14009349 0.85 ROCK1 (0.46) ROCK1ICAM1SELEVCAM1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
WO-2007022258-A1 NOVEL HIGH AFFINITY THIOPHENE-BASED AND FURAN-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 — — 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 (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-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 ROCK1 1401/4885ICAM1 4295/4885SELE 4030/4885

“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.

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