SCHEMBL14009052

SCHEMBL14009052

Cc1cc(N[C@H]2CCNC2)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PDE7A Q13946 7/20 0.36
▸ PLAT P00750 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL14009038 0.88 S1PR1 (0.41) HSP90AA1ATMPDE7APLATRAB9A
SCHEMBL14008963 0.80 CYP1A2 (0.47) HSP90AA1ATMBLMCYP1A2CYP3A4
SCHEMBL14009078 0.79 BLM (0.47) HSP90AA1ATMBLMCYP1A2CYP3A4
SCHEMBL14009029 0.78 BLM (0.46) HSP90AA1ATMBLMCYP1A2CYP3A4
SCHEMBL14008941 0.78 KMT2A (0.47) HSP90AA1ATMBLMPDE7ARAB9A
SCHEMBL14009000 0.76 BLM (0.43) HSP90AA1ATMBLMPDE7A
SCHEMBL14008962 0.76 BLM (0.46) HSP90AA1ATMBLMCYP1A2CYP3A4
SCHEMBL14009024 0.76 BLM (0.43) HSP90AA1ATMBLMCYP2C9PDE7A
SCHEMBL14009077 0.76 MEN1 (0.55) HSP90AA1ATMBLMCYP1A2CYP3A4
SCHEMBL14009021 0.73 HSP90AA1 (0.52) HSP90AA1ATMBLMCYP1A2CYP3A4

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 6 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
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 HSP90AA1 2282/4885ATM 873/4885BLM 2572/4885

“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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