SCHEMBL3696157

SCHEMBL3696157

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC(NS(=O)(=O)Cc2ccccc2)C1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.32
LIPE Q05469 2/20 0.32
NR1H2 P55055 1/20 0.31
PKM P14618 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
USP2 O75604 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31
SFRP1 Q8N474 3/20 0.30
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 0.30
CHRNA4 P43681 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
SCHEMBL3708558 0.90 TYRO3 (0.32) TYRO3MERTKCHRNA4
SCHEMBL3695329 0.89 SFRP1 (0.38) SFRP1
SCHEMBL3686846 0.87 SIGMAR1 (0.36) PKMRXFP1USP2
SCHEMBL3687599 0.87 SCN9A (0.36) TYRO3MERTKCHRNA4
SCHEMBL3692325 0.86 KDM5A (0.36) PKMRXFP1GAACHRNA4
SCHEMBL3706083 0.86 TYRO3 (0.32) TYRO3MERTKCHRNA4
SCHEMBL3705801 0.85 SFRP1 (0.35) LIPENR1H2TYRO3MERTKSFRP1
SCHEMBL3704225 0.85 DDR1 (0.34) TYRO3MERTKCHRNA4
SCHEMBL3702694 0.85 GRIA2 (0.33) TYRO3MERTKCHRNA4
SCHEMBL3704630 0.84 RIPK1 (0.37) F2R

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 8 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
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
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 F2R 3694/4885LIPE 1894/4885NR1H2 711/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 F2R 3694/4885LIPE 1894/4885NR1H2 711/4885

“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.