SCHEMBL14009286

SCHEMBL14009286

O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(C(=O)N2CCOCC2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.49
▸ BLM P54132 1/20 0.47
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ EPHX2 P34913 2/20 0.42
▸ DGAT1 O75907 1/20 0.42

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
SCHEMBL14009298 0.84 CYP1A2 (0.54) HTTBLMAPOBEC3AAPOBEC3GKMT2A
SCHEMBL14009300 0.81 BLM (0.49) BLMAPOBEC3AAPOBEC3GKMT2AALDH1A1
SCHEMBL14009005 0.80 BLM (0.47) BLMAPOBEC3AAPOBEC3GRAB9ANPC1
SCHEMBL14009291 0.80 BLM (0.45) HTTBLMAPOBEC3AAPOBEC3GRAB9A
SCHEMBL14009087 0.79 BLM (0.46) HTTBLMAPOBEC3AAPOBEC3GRAB9A
SCHEMBL14009336 0.77 BLM (0.46) BLMAPOBEC3AAPOBEC3GKMT2AALDH1A1
SCHEMBL14008989 0.77 BLM (0.44) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL14009042 0.77 BLM (0.44) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL14009361 0.77 GPR119 (0.46) HTTBLMAPOBEC3AAPOBEC3GRAB9A
SCHEMBL14009359 0.77 GPR119 (0.44) HTTBLMAPOBEC3AAPOBEC3GKMT2A

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 HTT 2605/4885BLM 2572/4885APOBEC3A 3662/4885

“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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