SCHEMBL3703873

SCHEMBL3703873

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cccc(F)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.34
CSNK1D P48730 2/20 0.32
CSNK1E P49674 2/20 0.32
GRM5 P41594 2/20 0.32
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
RIPK1 Q13546 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
USP2 O75604 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
P2RX7 Q99572 1/20 0.31
ERN1 O75460 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3690179 0.92 SCD (0.39) ABCB1GRM5SCDSCD5TRPM8
SCHEMBL3687024 0.92 USP2 (0.35) ABCB1SCDSCD5RIPK1USP2
SCHEMBL3697073 0.92 ERN1 (0.34) RIPK1USP2TYRO3MERTKERN1
SCHEMBL3689522 0.91 SMN1; SMN2 (0.32) ABCB1SCDSCD5P2RX7ERN1
SCHEMBL3692587 0.88 ABCB1 (0.34) ABCB1SCDSCD5RIPK1HCRTR1
SCHEMBL3690396 0.86 ERN1 (0.30) ERN1
SCHEMBL3696081 0.85 KDM4E (0.33) RIPK1MAPT
SCHEMBL3686611 0.85 MAPT (0.40) ABCB1SCDSCD5USP2LMNA
SCHEMBL3691190 0.84 SCD (0.37) ABCB1SCDSCD5LMNAMAPT
SCHEMBL3692062 0.84 TRPV1 (0.34) SCDSCD5RIPK1USP2TYRO3

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 5 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-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

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 ABCB1 721/4885CSNK1D 4126/4885CSNK1E 2333/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ABCB1 721/4885CSNK1D 4126/4885CSNK1E 2333/4885

“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.