SCHEMBL14009174

SCHEMBL14009174

O=C(NC[C@@H]1CCNC1)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.47
▸ S1PR1 P21453 1/20 0.42
▸ F10 P00742 2/20 0.41
▸ ROCK1 Q13464 1/20 0.39
▸ MAPK8 P45983 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ SMYD3 Q9H7B4 3/20 0.38
▸ BTK Q06187 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ MAPKAPK2 P49137 1/20 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
SCHEMBL14009128 0.87 HDAC3 (0.50) NAMPTS1PR1F10ROCK1SMYD3
SCHEMBL14009200 0.84 SMYD3 (0.43) S1PR1ROCK1MAPK8MAPK10SMYD3
SCHEMBL14009189 0.82 SMYD3 (0.47) S1PR1ROCK1SMYD3HDAC3HDAC4
SCHEMBL14009129 0.80 KMT2A (0.50) NAMPT
SCHEMBL14009120 0.80 KMT2A (0.50) NAMPT
SCHEMBL14009108 0.78 SMYD3 (0.53) S1PR1ROCK1SMYD3
SCHEMBL14609404 0.78 ROCK1 (0.45) S1PR1ROCK1
SCHEMBL14009094 0.77 ROCK1 (0.42) NAMPTS1PR1F10ROCK1
SCHEMBL14009038 0.77 S1PR1 (0.41) S1PR1ROCK1MAPK8MAPK10SMYD3
SCHEMBL14009349 0.76 ROCK1 (0.46) S1PR1ROCK1MAPK10

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 NAMPT 1107/4885S1PR1 2163/4885F10 3951/4885

“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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