SCHEMBL3684175

SCHEMBL3684175

CS(=O)(=O)NC1CN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.35
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
PDE4B Q07343 1/20 0.31
CNR1 P21554 1/20 0.31
SPTLC2 O15270 1/20 0.30
USP2 O75604 1/20 0.30
NTRK1 P04629 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
SCHEMBL7496196 1.00 SLC6A9 (0.35) SLC6A9TYRO3MERTKPDE4BCNR1
Methane SCHEMBL4452839 0.93 SLC6A9 (0.33) SLC6A9TYRO3MERTKCNR1USP2
SCHEMBL3690048 0.90 SLC6A9 (0.34) SLC6A9TYRO3MERTKSPTLC2USP2
SCHEMBL7501105 0.90 SLC6A9 (0.34) SLC6A9TYRO3MERTKSPTLC2USP2
SCHEMBL3687599 0.87 SCN9A (0.36) TYRO3MERTK
SCHEMBL3692133 0.87 PDE4B (0.34) SLC6A9PDE4BSPTLC2NTRK1
SCHEMBL7495706 0.87 PDE4B (0.34) SLC6A9PDE4BSPTLC2NTRK1
SCHEMBL7491631 0.86 TACR1 (0.34) USP2
SCHEMBL3690401 0.86 USP2 (0.33) USP2
SCHEMBL3650212 0.86 TACR1 (0.34) USP2

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 SLC6A9 4294/4885TYRO3 4163/4885MERTK 1560/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SLC6A9 4294/4885TYRO3 4163/4885MERTK 1560/4885

“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.