SCHEMBL4404244

SCHEMBL4404244

C[C@@H](Oc1cc(-n2cnc3cc(-c4ccc(N)nn4)ccc32)sc1C(N)=O)c1ccccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.75
PLK3 Q9H4B4 8/20 0.75
CYP2C9 P11712 7/20 0.75
CYP3A4 P08684 10/20 0.71
CDK2 P24941 1/20 0.69
IKBKE Q14164 1/20 0.69

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
SCHEMBL3568848 0.93 PLK1 (0.76) PLK1PLK3CYP2C9CYP3A4CDK2
SCHEMBL13435592 0.93 PLK1 (0.76) PLK1PLK3CYP2C9CYP3A4CDK2
SCHEMBL14029673 0.92 PLK1 (0.64) PLK1PLK3CYP2C9CYP3A4CDK2
SCHEMBL14029682 0.90 PLK1 (0.81) PLK1PLK3CYP2C9CYP3A4CDK2
SCHEMBL4839634 0.88 PLK1 (0.89) PLK1PLK3CYP2C9CYP3A4CDK2
SCHEMBL4413428 0.87 PLK1 (0.87) PLK1PLK3CYP2C9CYP3A4CDK2
SCHEMBL3575332 0.87 PLK1 (0.84) PLK1PLK3CYP2C9CYP3A4CDK2
SCHEMBL13435586 0.87 PLK1 (0.84) PLK1PLK3CYP2C9CYP3A4CDK2
SCHEMBL4406517 0.87 PLK1 (0.73) PLK1PLK3CYP2C9CYP3A4CDK2
SCHEMBL5067368 0.86 PLK1 (0.78) PLK1PLK3CYP2C9CYP3A4CDK2

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 2 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

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 2097/4885CYP2C9 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.