SCHEMBL14009087

SCHEMBL14009087

O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)o1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.46
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.38
▸ MALT1 Q9UDY8 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ PDE7A Q13946 1/20 0.36

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
SCHEMBL14009005 0.92 BLM (0.47) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL14009291 0.89 BLM (0.45) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL14009298 0.82 CYP1A2 (0.54) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL14009042 0.81 BLM (0.44) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL14008989 0.81 BLM (0.44) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL14009300 0.80 BLM (0.49) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL14009286 0.79 HTT (0.49) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL14009359 0.79 GPR119 (0.44) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL14009336 0.78 BLM (0.46) BLMAPOBEC3AAPOBEC3GCYP1A2CYP3A4
SCHEMBL14009361 0.77 GPR119 (0.46) 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 BLM 2572/4885APOBEC3A 3662/4885APOBEC3G 3689/4885

“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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