SCHEMBL4403539

SCHEMBL4403539

COC(=O)c1sc(-n2cnc3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc32)cc1OCc1cccnc1Cl

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 8/20 0.55
PLK1 P53350 16/20 0.52
PLK3 Q9H4B4 6/20 0.46
PIK3CD O00329 2/20 0.46
NUAK1 O60285 2/20 0.46
PDGFRB P09619 2/20 0.46
PIM1 P11309 2/20 0.46
KDR P35968 2/20 0.46
PIK3CG P48736 1/20 0.43

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
SCHEMBL4409823 0.93 NEK2 (0.64) NEK2PLK1PLK3PIK3CDNUAK1
SCHEMBL4412237 0.85 PLK1 (0.54) NEK2PLK1PLK3PIK3CDNUAK1
SCHEMBL4406623 0.84 PLK1 (0.57) NEK2PLK1PLK3PIK3CDNUAK1
SCHEMBL4999620 0.83 NEK2 (0.61) NEK2PLK1PLK3PIK3CDNUAK1
SCHEMBL4406129 0.82 PLK1 (0.76) NEK2PLK1PLK3PIK3CDNUAK1
SCHEMBL2977487 0.82 PLK1 (0.70) NEK2PLK1PLK3PIK3CDNUAK1
SCHEMBL5062477 0.81 PLK1 (0.62) NEK2PLK1PLK3PIK3CDNUAK1
SCHEMBL4405335 0.79 PLK1 (0.54) NEK2PLK1PLK3PIK3CDNUAK1
SCHEMBL4402759 0.79 NEK2 (0.62) NEK2PLK1PLK3PIK3CDNUAK1
SCHEMBL2973679 0.78 PLK1 (0.72) NEK2PLK1PLK3PIK3CDNUAK1

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
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 NEK2 1915/4885PLK1 1718/4885PLK3 2097/4885

“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.