SCHEMBL14009249

SCHEMBL14009249

COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(-n4cncn4)cc3F)s2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GRM7 Q14831 3/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ ATM Q13315 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
▸ ICAM1 P05362 1/20 0.40
▸ SELE P16581 1/20 0.40
▸ VCAM1 P19320 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL14009015 0.89 MAPT (0.46) RAB9ARXFP1KMT2AMEN1KDM4E
SCHEMBL14008963 0.86 CYP1A2 (0.47) RAB9ARXFP1KMT2AMEN1GRM7
SCHEMBL14009103 0.85 KMT2A (0.44) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL14009111 0.78 F10 (0.49) RAB9ARXFP1KMT2AMEN1KDM4E
SCHEMBL14009096 0.78 F10 (0.49) RAB9ARXFP1KDM4EGRM7ICAM1
SCHEMBL14008991 0.78 CYP1A2 (0.42) RAB9ARXFP1KMT2AMEN1KDM4E
SCHEMBL14008925 0.77 SMN1; SMN2 (0.54) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL14009068 0.77 RAB9A (0.44) RAB9ARXFP1KMT2AKDM4EHSP90AA1
SCHEMBL14009031 0.76 S1PR4 (0.51) RAB9ARXFP1KMT2AMEN1ALDH1A1
SCHEMBL14009309 0.75 RAB9A (0.43) RAB9ARXFP1KMT2AMEN1KDM4E

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 RAB9A 3846/4885RXFP1 4645/4885KMT2A 806/4885

“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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