SCHEMBL14008981

SCHEMBL14008981

COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)s2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ BLM P54132 1/20 0.44
▸ GRM7 Q14831 3/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PRNP P04156 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL14008933 0.87 MAPT (0.45) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL14008963 0.86 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL14008940 0.76 APOBEC3A (0.49) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL14009011 0.76 NPC1 (0.39) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL14009325 0.76 KMT2A (0.52) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL14009082 0.75 MAPT (0.53) CYP1A2CYP3A4MAPTPOLBKMT2A
SCHEMBL14009103 0.73 KMT2A (0.44) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL14009249 0.73 RAB9A (0.49) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL14009077 0.73 MEN1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL14009015 0.73 MAPT (0.46) MAPTGRM7HSP90AA1ATMKMT2A

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-8808952-B2 Composition for forming charge transporting film, electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2014-08-19 — — US disclosed
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

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 CYP1A2 2310/4885CYP3A4 3394/4885CYP2C9 3263/4885

“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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