SCHEMBL14009359

SCHEMBL14009359

CN(C(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.44
▸ BLM P54132 1/20 0.43
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL14009361 0.92 GPR119 (0.46) GPR119BLMAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL14009300 0.86 BLM (0.49) GPR119BLMAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL14009005 0.85 BLM (0.47) GPR119BLMAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL14008989 0.83 BLM (0.44) GPR119BLMAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL14009042 0.83 BLM (0.44) GPR119BLMAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL14009298 0.81 CYP1A2 (0.54) GPR119BLMAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL14009291 0.79 BLM (0.45) GPR119BLMAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL14009087 0.79 BLM (0.46) GPR119BLMAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL14009336 0.79 BLM (0.46) GPR119BLMAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL14009286 0.77 HTT (0.49) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4

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 GPR119 3217/4885BLM 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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