SCHEMBL2986963

SCHEMBL2986963

C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(=O)O)c1ccccc1Cl

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.88
PLK3 Q9H4B4 13/20 0.88
NEK2 P51955 6/20 0.88
PIK3CD O00329 2/20 0.88
NUAK1 O60285 2/20 0.88
PDGFRB P09619 2/20 0.88
PIM1 P11309 2/20 0.88
KDR P35968 2/20 0.88
PIK3CG P48736 1/20 0.71
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57

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
Gsk-579289A SCHEMBL31060734 0.93 PLK1 (1.00) PLK1PLK3NEK2PIK3CDNUAK1
Gsk-579289A SCHEMBL2989105 0.93 PLK1 (1.00) PLK1PLK3NEK2PIK3CDNUAK1
Gsk-579289A SCHEMBL13206401 0.93 PLK1 (1.00) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2986655 0.93 PLK1 (0.85) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL5008594 0.92 PLK1 (0.75) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4395526 0.92 PLK1 (0.74) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2977625 0.91 PLK1 (0.73) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2987851 0.89 PLK1 (0.88) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4999277 0.87 PLK1 (0.68) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4999256 0.87 PLK1 (0.68) PLK1PLK3NEK2PIK3CDNUAK1

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
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
US-7595330-B2 Benzimidazole thiophene compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 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 (2 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-20080214567-A1 Benzimidazole Thiophene Compounds ABCB1, ABCG2, CYP3A5 PLK1 344/4885PLK3 934/4885NEK2 2296/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PLK1 1718/4885PLK3 2097/4885NEK2 1915/4885

“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.