SCHEMBL3689697

SCHEMBL3689697

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncnc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.35
EGLN1 Q9GZT9 1/20 0.32
P2RX7 Q99572 1/20 0.32
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
MAPT P10636 1/20 0.32
TRPV1 Q8NER1 9/20 0.32
JAK1 P23458 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
ERN1 O75460 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL3690381 0.94 NAMPT (0.35) NAMPTEGLN1SCDSCD5MAPT
SCHEMBL13261355 0.92 NAMPT (0.37) NAMPTP2RX7SCDSCD5MAPT
SCHEMBL3784157 0.92 P2RX7 (0.35) NAMPTEGLN1P2RX7SCDSCD5
SCHEMBL3686611 0.91 MAPT (0.40) NAMPTEGLN1SCDSCD5MAPT
SCHEMBL3691190 0.91 SCD (0.37) NAMPTSCDSCD5MAPTTRPV1
SCHEMBL3688408 0.90 NAMPT (0.33) NAMPTEGLN1SCDSCD5MAPT
SCHEMBL3788136 0.90 TRPV1 (0.36) TRPV1
SCHEMBL3694143 0.89 NAMPT (0.33) NAMPTEGLN1SCDSCD5MAPT
SCHEMBL3709613 0.89 PTK6 (0.35) NAMPTEGLN1TRPV1JAK1
SCHEMBL3686161 0.88 NAMPT (0.33) NAMPTSCDSCD5TRPV1MKNK1

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 9 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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
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 (3 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 NAMPT 65/4885EGLN1 369/4885P2RX7 589/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 NAMPT 65/4885EGLN1 369/4885P2RX7 589/4885
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 NAMPT 65/4885EGLN1 369/4885P2RX7 589/4885

“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.