SCHEMBL14009057

SCHEMBL14009057

COc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ HSP90AA1 P07900 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ RNASEL Q05823 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KCNMA1 Q12791 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL14009056 0.87 MAPT (0.52) KMT2AATMMAPTRAB9AMEN1
SCHEMBL14009154 0.86 SMN1; SMN2 (0.54) KMT2APOLBMAPTRAB9AMEN1
SCHEMBL14009215 0.86 KMT2A (0.49) KMT2APOLBMAPTRAB9AMEN1
SCHEMBL14009070 0.85 RAB9A (0.51) KMT2AHSP90AA1ATMRXFP1MAPT
SCHEMBL14009251 0.84 KMT2A (0.51) KMT2APOLBMAPTRAB9AMEN1
SCHEMBL14009197 0.83 NAMPT (0.46) KMT2ARXFP1POLBMAPTRAB9A
SCHEMBL14009049 0.82 NAMPT (0.46) KMT2APOLBMAPTRAB9AMEN1
SCHEMBL14008925 0.82 SMN1; SMN2 (0.54) KMT2AMAPTRAB9AMEN1TP53
SCHEMBL14009072 0.81 MEN1 (0.52) KMT2AHSP90AA1ATMRXFP1MAPT
SCHEMBL14009015 0.80 MAPT (0.46) KMT2AHSP90AA1ATMRXFP1MAPT

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 KMT2A 806/4885HSP90AA1 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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