SCHEMBL3699862

SCHEMBL3699862

O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.45
▸ EGLN1 Q9GZT9 4/20 0.43
▸ NPBWR1 P48145 1/20 0.40
▸ PTGER2 P43116 1/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL3689256 0.81 ERN1 (0.45) ERN1NPBWR1PTGER2PIN1KMO
SCHEMBL13788157 0.79 EGLN1 (0.46) EGLN1CNR2
SCHEMBL10215308 0.73 ERN1 (0.47) ERN1NPBWR1KMOCNR2
SCHEMBL13944438 0.71 ERN1 (0.45) ERN1NPBWR1GSK3B
SCHEMBL21200019 0.71 KDM4E (0.52) EGLN1PIN1CNR2
SCHEMBL1583795 0.67 ERN1 (0.43) ERN1NPBWR1KMO
SCHEMBL3694859 0.65 ERN1 (0.41) ERN1NPBWR1KMO
SCHEMBL3642233 0.65 ADORA3 (0.53) EGLN1
SCHEMBL3685804 0.64 ERN1 (0.40) ERN1NPBWR1KMO
SCHEMBL1583247 0.64 ERN1 (0.40) ERN1NPBWR1KMO

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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 ERN1 237/4885EGLN1 369/4885NPBWR1 3024/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ERN1 237/4885EGLN1 369/4885NPBWR1 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.

Send feedback