SCHEMBL14009170

SCHEMBL14009170

O=C(NCc1ccncc1)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.43
▸ NAMPT P43490 12/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 2/20 0.40

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
SCHEMBL14009116 0.92 HDAC3 (0.47) ROCK2NAMPTFLT1KDRROCK1
SCHEMBL14009134 0.88 MEN1 (0.49) ROCK2NAMPTALDH1A1LMNAHTT
SCHEMBL14009123 0.85 HPGD (0.52) NAMPTROCK1ALDH1A1LMNAL3MBTL1
SCHEMBL14009214 0.84 HDAC1 (0.41) ROCK2NAMPTROCK1LMNA
SCHEMBL14009094 0.83 ROCK1 (0.42) ROCK2NAMPTROCK1ALDH1A1HTT
SCHEMBL14009163 0.82 ROCK1 (0.51) ROCK1ALDH1A1
SCHEMBL14009349 0.82 ROCK1 (0.46) ROCK1ALDH1A1LMNA
SCHEMBL14009176 0.82 ROCK1 (0.41) ROCK2NAMPTROCK1ALDH1A1HTT
SCHEMBL14009139 0.81 HDAC1 (0.49) ROCK2NAMPTROCK1LMNAL3MBTL1
SCHEMBL14009079 0.81 NPC1 (0.39) ROCK2ROCK1LMNAHTT

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 ROCK2 670/4885NAMPT 1107/4885FLT1 1146/4885

“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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