SCHEMBL14009068

SCHEMBL14009068

Cc1cc(O)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ S1PR1 P21453 3/20 0.42
▸ ESRRG P62508 3/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ POLB P06746 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ ICAM1 P05362 1/20 0.39
▸ SELE P16581 1/20 0.39
▸ VCAM1 P19320 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ S1PR5 Q9H228 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
SCHEMBL14009309 0.90 RAB9A (0.43) RAB9ARXFP1HSP90AA1ATMS1PR1
SCHEMBL14009351 0.88 RAB9A (0.42) RAB9ARXFP1HSP90AA1ATMS1PR1
SCHEMBL14009015 0.88 MAPT (0.46) RAB9ARXFP1HSP90AA1ATMS1PR1
SCHEMBL14009001 0.87 KDM4E (0.53) RAB9ARXFP1HSP90AA1ATMS1PR1
SCHEMBL14009066 0.86 RAB9A (0.41) RAB9ARXFP1HSP90AA1ATMS1PR1
SCHEMBL14009026 0.86 RAB9A (0.46) RAB9ARXFP1S1PR1NPC1
SCHEMBL14009089 0.86 S1PR1 (0.42) RAB9ARXFP1HSP90AA1ATMS1PR1
SCHEMBL14008947 0.85 PDE7A (0.46) RAB9AATMKDM4EKMT2ANPC1
SCHEMBL14009032 0.85 MAPKAPK2 (0.46) RAB9ARXFP1HSP90AA1ATMS1PR1
SCHEMBL14008991 0.84 CYP1A2 (0.42) RAB9ARXFP1HSP90AA1ATMS1PR1

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 3846/4885RXFP1 4645/4885HSP90AA1 2282/4885

“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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