SCHEMBL3694859

SCHEMBL3694859

CCn1c(C(=O)O)nc2cc(-c3ccoc3)cc(C(F)(F)F)c21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.41
▸ ADORA2A P29274 3/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ P2RY14 Q15391 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ KMO O15229 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ BRD2 P25440 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ PTGER4 P35408 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
SCHEMBL3701183 0.82 ALDH1A1 (0.40) —
SCHEMBL3689256 0.70 ERN1 (0.45) ERN1NPBWR1RXRAP2RY14KMO
SCHEMBL13944438 0.68 ERN1 (0.45) ERN1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL10215308 0.67 ERN1 (0.47) ERN1NPBWR1P2RY14KMO
SCHEMBL3699862 0.65 ERN1 (0.45) ERN1NPBWR1KMO
SCHEMBL1583795 0.65 ERN1 (0.43) ERN1NPBWR1KMO
SCHEMBL3687666 0.63 ERN1 (0.38) ERN1NPBWR1RXRAKMO
SCHEMBL3685804 0.63 ERN1 (0.40) ERN1NPBWR1KMO
SCHEMBL1583475 0.63 ERN1 (0.40) ERN1NPBWR1KMO
SCHEMBL1583247 0.63 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 4 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
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 — — EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 — — WO 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 237/4885ADORA2A 1016/4885ADORA1 2107/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ERN1 237/4885ADORA2A 1016/4885ADORA1 2107/4885

“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.

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