SCHEMBL3789439

SCHEMBL3789439

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
GRM5 P41594 1/20 0.32
KDR P35968 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 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
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NR4A2 P43354 1/20 0.31
P2RY14 Q15391 1/20 0.31
SORT1 Q99523 1/20 0.31
KMO O15229 2/20 0.31
STING1 Q86WV6 1/20 0.31

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
SCHEMBL3789610 0.93 ERN1 (0.37) ERN1RXFP1GRM5ADORA3ADORA2A
SCHEMBL1583795 0.93 ERN1 (0.43) ERN1RXFP1GRM5PTGS1PTGS2
SCHEMBL3788826 0.90 ERN1 (0.35) ERN1RXFP1GRM5
SCHEMBL1583304 0.84 NOTUM (0.41) ERN1NR4A2
SCHEMBL3787977 0.83 ERN1 (0.42) ERN1GRM5PIK3CDPIK3CAPIK3CB
SCHEMBL3789436 0.82 HDAC4 (0.40) ERN1ADORA3ADORA2AADORA2B
SCHEMBL3786086 0.81 EGLN1 (0.38) ERN1GRM5
SCHEMBL3795959 0.81 EGLN1 (0.45) ERN1
SCHEMBL3791773 0.80 CNR2 (0.37) ERN1SORT1
SCHEMBL3789444 0.80 CSGALNACT1 (0.39) 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 1 patent. 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 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 237/4885RXFP1 4676/4885GRM5 3710/4885

“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.