SCHEMBL4397601

SCHEMBL4397601

C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(Cl)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 1.00
CYP3A4 P08684 5/20 0.85
CYP2C9 P11712 5/20 0.85
PLK3 Q9H4B4 9/20 0.85

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
SCHEMBL3572261 0.93 PLK1 (0.88) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3264829 0.92 PLK1 (0.85) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3156658 0.92 PLK1 (0.86) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3150935 0.92 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4726481 0.92 PLK1 (0.86) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4563270 0.92 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4563271 0.92 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL13450938 0.92 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4404515 0.92 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4413428 0.90 PLK1 (0.87) PLK1CYP3A4CYP2C9PLK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PLK1 1718/4885CYP3A4 1/4885CYP2C9 16/4885

“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.