SCHEMBL14009200

SCHEMBL14009200

O=C(Nc1ccc(-n2cncn2)cc1)c1ccc(C(=O)N[C@@H]2CCNC2)s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.43
▸ MAPK10 P53779 3/20 0.41
▸ MAPK8 P45983 2/20 0.41
▸ ROCK1 Q13464 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ SYK P43405 1/20 0.38
▸ CD38 P28907 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ PDE7A Q13946 1/20 0.35
▸ CHRNA1 P02708 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35

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
SCHEMBL14009189 0.94 SMYD3 (0.47) SMYD3ROCK1S1PR1SYKCD38
SCHEMBL14009108 0.89 SMYD3 (0.53) SMYD3ROCK1S1PR1SYKCD38
SCHEMBL14009091 0.87 SMYD3 (0.49) SMYD3ROCK1S1PR1SYKCCR3
SCHEMBL14009095 0.87 SMYD3 (0.49) SMYD3ROCK1S1PR1SYKCCR3
SCHEMBL14009119 0.86 SMYD3 (0.48) SMYD3ROCK1S1PR1SYKCCR3
SCHEMBL14009038 0.84 S1PR1 (0.41) SMYD3MAPK10MAPK8ROCK1S1PR1
SCHEMBL14009174 0.84 NAMPT (0.47) SMYD3MAPK10MAPK8ROCK1S1PR1
SCHEMBL14009180 0.83 SMYD3 (0.46) SMYD3MAPK10MAPK8ROCK1S1PR1
SCHEMBL14009112 0.82 SMYD3 (0.46) SMYD3ROCK1S1PR1SYKCD38
SCHEMBL14009164 0.82 SMYD3 (0.45) SMYD3ROCK1S1PR1SYK

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 SMYD3 3202/4885MAPK10 576/4885MAPK8 463/4885

“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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