SCHEMBL3569960

SCHEMBL3569960

C[C@@H](Oc1cc(-n2cnc3cc(OS(=O)(=O)C(F)(F)F)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.78
PLK3 Q9H4B4 11/20 0.74
CYP3A4 P08684 2/20 0.70
CYP2C9 P11712 1/20 0.70
NEK2 P51955 2/20 0.64
PIK3CD O00329 1/20 0.64
NUAK1 O60285 1/20 0.64
PDGFRB P09619 1/20 0.64
PIM1 P11309 1/20 0.64
KDR P35968 1/20 0.64
PIK3CG P48736 1/20 0.64

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
SCHEMBL4406226 0.94 PLK1 (0.84) PLK1PLK3CYP3A4CYP2C9NEK2
SCHEMBL4398132 0.88 PLK1 (0.84) PLK1PLK3CYP3A4CYP2C9NEK2
SCHEMBL2989078 0.88 PLK1 (0.74) PLK1PLK3CYP3A4CYP2C9NEK2
SCHEMBL4397905 0.87 PLK1 (0.81) PLK1PLK3CYP3A4CYP2C9NEK2
SCHEMBL4405105 0.87 PLK1 (0.83) PLK1PLK3CYP3A4CYP2C9NEK2
SCHEMBL3145169 0.87 PLK1 (0.81) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4405077 0.87 PLK1 (0.81) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4398410 0.87 PLK1 (0.82) PLK1PLK3CYP3A4CYP2C9NEK2
SCHEMBL4403598 0.86 PLK1 (0.80) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4402857 0.86 PLK1 (0.83) PLK1PLK3CYP3A4CYP2C9NEK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-04 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 (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-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS CYP3A5, CYP2B6, CYP3A4 PLK1 836/4885PLK3 1941/4885CYP3A4 3/4885

“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.