SCHEMBL14009257

SCHEMBL14009257

O=C(Nc1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ PKM P14618 1/20 0.50
▸ GAA P10253 2/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ MAPT P10636 1/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ CRACR2A Q9BSW2 1/20 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
SCHEMBL14009037 0.91 ROCK1 (0.52) MEN1KMT2APKMROCK1MAPT
SCHEMBL14009082 0.87 MAPT (0.53) MEN1KMT2AROCK1MAPTRAB9A
SCHEMBL14009050 0.81 MAPT (0.50) GAAROCK1MAPTRAB9AMAPK1
SCHEMBL14009349 0.80 ROCK1 (0.46) MEN1KMT2AROCK1MAPTRXFP1
SCHEMBL14009163 0.80 ROCK1 (0.51) MEN1KMT2AROCK1MAPTRXFP1
SCHEMBL14009170 0.80 ROCK2 (0.43) ROCK1HTTL3MBTL1ALDH1A1LMNA
SCHEMBL14009070 0.79 RAB9A (0.51) KMT2AROCK1MAPTRXFP1RAB9A
SCHEMBL14609404 0.79 ROCK1 (0.45) KMT2AROCK1MAPTRXFP1RAB9A
SCHEMBL14609432 0.79 ROCK1 (0.45) KMT2AROCK1MAPTRXFP1RAB9A
SCHEMBL14008976 0.79 KDM4E (0.45) ROCK1RAB9AHTTKDM4EL3MBTL1

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 MEN1 3348/4885KMT2A 806/4885PKM 879/4885

“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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