SCHEMBL3787977

SCHEMBL3787977

NC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.42
TGFBR1 P36897 1/20 0.35
SCN9A Q15858 7/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 1/20 0.33
NPBWR1 P48145 1/20 0.33
CYP2C9 P11712 3/20 0.32
GRM5 P41594 1/20 0.32
SCN5A Q14524 1/20 0.32
GRM2 Q14416 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL1583795 0.89 ERN1 (0.43) ERN1NPBWR1GRM5
SCHEMBL3789610 0.86 ERN1 (0.37) ERN1PIK3CAGRM5PIK3CDPIK3CB
SCHEMBL1583304 0.85 NOTUM (0.41) ERN1
SCHEMBL3789608 0.85 EGLN1 (0.37) ERN1SCN9A
SCHEMBL13228804 0.84 ERN1 (0.35) ERN1SCN9APIK3CACYP2C9CYP2D6
SCHEMBL3687228 0.83 ERN1 (0.36) ERN1SCN9A
SCHEMBL3786076 0.83 ERN1 (0.40) ERN1PIK3CANPBWR1GRM5PIK3CD
SCHEMBL3789439 0.83 ERN1 (0.38) ERN1PIK3CAGRM5PIK3CDPIK3CB
Hydrochloric Acid SCHEMBL3688734 0.82 ERN1 (0.36) ERN1SCN9A
SCHEMBL13228809 0.82 SCN9A (0.36) ERN1SCN9A

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
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 237/4885TGFBR1 4468/4885SCN9A 2892/4885

“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.