SCHEMBL3736868

SCHEMBL3736868

C[C@@H](Oc1cc(-n2cnc3cc(CN)ncc32)sc1C(N)=O)c1ccccc1C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.73
PLK3 Q9H4B4 11/20 0.71
CYP3A4 P08684 2/20 0.68
CYP2C9 P11712 1/20 0.68
PIK3CD O00329 1/20 0.65
PIK3C2B O00750 1/20 0.65
RIOK3 O14730 1/20 0.65
DAPK3 O43293 1/20 0.65
PIP5K1C O60331 1/20 0.65
RPS6KA4 O75676 1/20 0.65
STK10 O94804 1/20 0.65
PRKD3 O94806 1/20 0.65
PDGFRB P09619 1/20 0.65
KIT P10721 1/20 0.65
PIM1 P11309 1/20 0.65
CSNK2A2 P19784 1/20 0.65
GRK4 P32298 1/20 0.65
TIE1 P35590 1/20 0.65
FLT3 P36888 1/20 0.65
PRKCI P41743 1/20 0.65

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
SCHEMBL3735224 0.94 PLK1 (0.73) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3737511 0.94 PLK1 (0.73) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3749188 0.92 PLK1 (0.70) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3741383 0.90 PLK1 (0.68) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3747887 0.90 PLK1 (0.68) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3745233 0.90 PLK1 (0.68) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3736854 0.90 PLK1 (0.67) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3735000 0.90 PLK1 (0.67) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3739801 0.89 PLK1 (0.67) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3741265 0.88 PLK1 (0.65) PLK1PLK3CYP3A4CYP2C9PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 US disclosed
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2010-11-04 US disclosed
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 WO 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-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES PIKFYVE, PIP4K2B, PIP5K1B PLK1 642/4885PLK3 1528/4885CYP3A4 1450/4885

“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.