SCHEMBL14009251

SCHEMBL14009251

COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(-n4cncn4)cc3)s2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NAMPT P43490 1/20 0.45
▸ ICAM1 P05362 1/20 0.43
▸ SELE P16581 1/20 0.43
▸ VCAM1 P19320 1/20 0.43
▸ AAK1 Q2M2I8 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ IMPDH2 P12268 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ CYP19A1 P11511 1/20 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
SCHEMBL14009215 0.92 KMT2A (0.49) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL14009197 0.89 NAMPT (0.46) KMT2ASMN1; SMN2MEN1RAB9ANAMPT
SCHEMBL14009056 0.89 MAPT (0.52) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL14008925 0.85 SMN1; SMN2 (0.54) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL14009057 0.84 KMT2A (0.53) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL14009219 0.84 KMT2A (0.53) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL14009154 0.84 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL14609404 0.81 ROCK1 (0.45) KMT2ALMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL14009049 0.81 NAMPT (0.46) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL14009209 0.81 ESRRG (0.48) KMT2ASMN1; SMN2MEN1TP53MAPT

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 806/4885LMNA 3745/4885SMN1; SMN2 2211/4885

“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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