SCHEMBL3786076

SCHEMBL3786076

NC(=O)Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
POLB P06746 1/20 0.33
NPBWR1 P48145 1/20 0.31
GRM5 P41594 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
NTRK1 P04629 1/20 0.30

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
SCHEMBL3687351 0.90 ERN1 (0.40) ERN1POLBNPBWR1
SCHEMBL3785377 0.89 ERN1 (0.35) ERN1
SCHEMBL13229141 0.87 ERN1 (0.38) ERN1NPBWR1GRM5
SCHEMBL3785378 0.87 ERN1 (0.38) ERN1GRM5
SCHEMBL3684681 0.85 ERN1 (0.38) ERN1NPBWR1GRM5
SCHEMBL3689416 0.85 ERN1 (0.41) ERN1NPBWR1GRM5PIK3CA
SCHEMBL3793655 0.85 ERN1 (0.34) ERN1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13228828 0.85 ERN1 (0.34) ERN1
SCHEMBL3785290 0.85 ERN1 (0.34) ERN1
SCHEMBL13261607 0.84 ERN1 (0.35) ERN1

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 ERN1 237/4885POLB 1134/4885NPBWR1 3024/4885

“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.