SCHEMBL14009103

SCHEMBL14009103

COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3-n3cncn3)s2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ GRM7 Q14831 4/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL14008963 0.86 CYP1A2 (0.47) KMT2AMEN1GRM7HSP90AA1ATM
SCHEMBL14009249 0.85 RAB9A (0.49) KMT2AMEN1GRM7HSP90AA1ATM
SCHEMBL14009015 0.83 MAPT (0.46) KMT2AMEN1GRM7HSP90AA1ATM
SCHEMBL14008940 0.74 APOBEC3A (0.49) KMT2AMEN1GRM7RAB9AMAPT
SCHEMBL14009330 0.74 MEN1 (0.52) KMT2AMEN1KDM4EALDH1A1RAB9A
SCHEMBL14009320 0.74 MEN1 (0.52) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL14008981 0.73 CYP1A2 (0.46) KMT2AMEN1GRM7HSP90AA1ATM
SCHEMBL14009111 0.72 F10 (0.49) KMT2AMEN1KDM4ERAB9AMAPT
SCHEMBL14009096 0.72 F10 (0.49) GRM7KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL14008991 0.72 CYP1A2 (0.42) KMT2AMEN1HSP90AA1ATMKDM4E

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 806/4885MEN1 3348/4885GRM7 2741/4885

“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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