SCHEMBL14009078

SCHEMBL14009078

CNCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)s2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ RAB9A P51151 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ GPR174 Q9BXC1 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL14009029 0.89 BLM (0.46) BLMHSP90AA1ATMCYP1A2CYP3A4
SCHEMBL14008962 0.87 BLM (0.46) BLMHSP90AA1ATMCYP1A2CYP3A4
SCHEMBL14009066 0.87 RAB9A (0.41) HSP90AA1ATMAPOBEC3AAPOBEC3GRAB9A
SCHEMBL14009000 0.86 BLM (0.43) BLMHSP90AA1ATM
SCHEMBL14009024 0.85 BLM (0.43) BLMHSP90AA1ATMCYP2C9RAB9A
SCHEMBL14008963 0.84 CYP1A2 (0.47) BLMHSP90AA1ATMCYP1A2CYP3A4
SCHEMBL14008941 0.80 KMT2A (0.47) BLMHSP90AA1ATMRAB9AKDM4E
SCHEMBL14009077 0.80 MEN1 (0.55) BLMHSP90AA1ATMCYP1A2CYP3A4
SCHEMBL14009052 0.79 HSP90AA1 (0.41) BLMHSP90AA1ATMCYP1A2CYP3A4
SCHEMBL14009021 0.78 HSP90AA1 (0.52) BLMHSP90AA1ATMCYP1A2CYP3A4

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 4 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

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

“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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