SCHEMBL4410014

SCHEMBL4410014

C[C@@H](Oc1cc(-n2cnc3cc(-c4cccnc4)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
PLK3 Q9H4B4 9/20 1.00
CYP3A4 P08684 5/20 0.80
CYP2C9 P11712 4/20 0.80

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
SCHEMBL13573236 1.00 PLK1 (1.00) PLK1PLK3CYP3A4CYP2C9
SCHEMBL5003640 0.93 PLK1 (0.88) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4406023 0.92 PLK1 (0.85) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4404515 0.92 PLK1 (1.00) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4551011 0.90 PLK1 (0.85) PLK1PLK3CYP3A4CYP2C9
SCHEMBL3566304 0.90 PLK1 (0.85) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4551471 0.90 PLK1 (1.00) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4551474 0.90 PLK1 (1.00) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4551487 0.89 PLK1 (0.82) PLK1PLK3CYP3A4CYP2C9
SCHEMBL3150935 0.89 PLK1 (1.00) PLK1PLK3CYP3A4CYP2C9

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
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
WO-2009151914-A1 METHODS FOR TREATING NEOPLASMS WITH A COMBINATION OF A PLK INHIBITOR AND RETINOID SMITHKLINE BEECHAM CORPORATION (US) 2009-12-17 WO 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
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US 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 1718/4885PLK3 2097/4885CYP3A4 1/4885

“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.