SCHEMBL3604366

SCHEMBL3604366

C[C@@H](Oc1cc(-n2cnc3cc(-c4ccc(F)nc4)ccc32)sc1C(=O)O)c1cccc(OC2CCN(C)CC2)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.59
CYP3A4 P08684 10/20 0.59
CYP2C9 P11712 6/20 0.59
PLK3 Q9H4B4 7/20 0.55
NEK2 P51955 4/20 0.55
PIK3CD O00329 2/20 0.55
NUAK1 O60285 2/20 0.55
PDGFRB P09619 2/20 0.55
PIM1 P11309 2/20 0.55
KDR P35968 2/20 0.55
PIK3CG P48736 1/20 0.50

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
SCHEMBL13440250 0.94 PLK1 (0.67) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3259410 0.94 PLK1 (0.67) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL4553114 0.94 PLK1 (0.60) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3255762 0.94 PLK1 (0.60) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3615205 0.91 PLK1 (0.58) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3609564 0.87 PLK1 (0.57) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3250936 0.87 PLK1 (0.68) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL13440213 0.87 PLK1 (0.68) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL3608554 0.87 PLK1 (0.64) PLK1CYP3A4CYP2C9PLK3NEK2
SCHEMBL4350869 0.86 PLK1 (0.46) PLK1CYP3A4CYP2C9PLK3NEK2

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
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 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-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885CYP3A4 3/4885CYP2C9 7/4885

“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.