SCHEMBL14009252

SCHEMBL14009252

O=C(Nc1ccc(-n2cncn2)cc1)c1ccc(C(=O)Nc2ccccc2Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ESRRG P62508 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ GALK1 P51570 1/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ STIM1 Q13586 2/20 0.41
▸ ORAI1 Q96D31 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 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
SCHEMBL14009163 0.87 ROCK1 (0.51) RAB9AMAPTNPC1RXFP1ESRRG
SCHEMBL14009001 0.87 KDM4E (0.53) RAB9AMAPTNPC1RXFP1HSP90AA1
SCHEMBL14009070 0.86 RAB9A (0.51) RAB9AMAPTNPC1RXFP1ESR1
SCHEMBL14009154 0.84 SMN1; SMN2 (0.54) RAB9AMAPTNPC1ROCK1POLB
SCHEMBL14009021 0.84 HSP90AA1 (0.52) RAB9AMAPTNPC1RXFP1HSP90AA1
SCHEMBL14009349 0.83 ROCK1 (0.46) RAB9AMAPTNPC1RXFP1HSP90AA1
SCHEMBL14009072 0.83 MEN1 (0.52) RAB9AMAPTRXFP1ESR1ESRRG
SCHEMBL14609432 0.82 ROCK1 (0.45) RAB9AMAPTNPC1RXFP1HSP90AA1
SCHEMBL14609404 0.82 ROCK1 (0.45) RAB9AMAPTNPC1RXFP1HSP90AA1
SCHEMBL14009117 0.80 NPC1 (0.52) RAB9AMAPTNPC1ROCK1S1PR1

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 RAB9A 3846/4885MAPT 2145/4885NPC1 4547/4885

“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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