SCHEMBL13632189

SCHEMBL13632189

O=S(=O)(Nc1ccc(F)c(C(O)c2c[nH]c3ncnc(C4CC4)c23)c1F)c1ccc(CF)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 10/20 0.46
CYP2C19 P33261 10/20 0.46
CYP2C9 P11712 8/20 0.46

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
SCHEMBL1086021 0.89 CYP2C19 (0.55) CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL13631908 0.81 CYP3A4 (0.43) CYP3A4CYP2C19CYP2C9
SCHEMBL10066408 0.80 CYP3A4 (0.43) CYP3A4CYP2C19CYP2C9
SCHEMBL8389339 0.74 CYP2C9 (0.42) CYP3A4CYP2C19CYP2C9
SCHEMBL18680881 0.73 CYP3A4 (0.55) CYP3A4CYP2C19CYP2C9
SCHEMBL18680974 0.72 CYP3A4 (0.52) CYP3A4CYP2C19CYP2C9
SCHEMBL12342306 0.72 CYP3A4 (0.39) CYP3A4CYP2C19CYP2C9
SCHEMBL18680638 0.71 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL12655351 0.71 CYP3A4 (0.71) CYP3A4CYP2C19CYP2C9
SCHEMBL288426 0.70 CYP2C19 (0.78) CYP1A2CYP3A4CYP2C19CYP2C9

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-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 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-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, PRKACA, RAF1 CYP1A2 4247/4885CYP3A4 3358/4885CYP2C19 2661/4885

“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.