SCHEMBL3689147

SCHEMBL3689147

NCc1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.36
ERN1 O75460 1/20 0.36
NPBWR1 P48145 1/20 0.32
NT5E P21589 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM5 P41594 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
SCHEMBL3683451 0.85 ERN1 (0.38) CSNK2A1ERN1NPBWR1NT5ESMN1; SMN2
SCHEMBL3693692 0.80 ERN1 (0.40) ERN1NPBWR1NT5E
SCHEMBL3688421 0.80 ERN1 (0.36) ERN1NPBWR1NT5ESMN1; SMN2GRM5
SCHEMBL1583247 0.79 ERN1 (0.40) ERN1NPBWR1NT5E
SCHEMBL3695420 0.78 CACNA1H (0.38) ERN1
SCHEMBL1583278 0.78 ERN1 (0.40) ERN1NPBWR1NT5E
SCHEMBL3684681 0.78 ERN1 (0.38) CSNK2A1ERN1NPBWR1GRM5
SCHEMBL3694010 0.77 PKM (0.39) SMN1; SMN2
Potassium Ion SCHEMBL1583281 0.77 ERN1 (0.39) ERN1NPBWR1NT5E
Hydrochloric Acid SCHEMBL3787578 0.77 ERN1 (0.38) CSNK2A1ERN1NPBWR1GRM5

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 CSNK2A1 3746/4885ERN1 237/4885NPBWR1 3024/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 CSNK2A1 3746/4885ERN1 237/4885NPBWR1 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.