SCHEMBL3685847

SCHEMBL3685847

CNC(=O)Cc1c(C(=O)N2CCC(c3ccc(F)cc3)C2)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 4/20 0.35
SCD5 Q86SK9 2/20 0.35
NAMPT P43490 2/20 0.34
KDM5A P29375 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 3/20 0.34
MAP3K12 Q12852 1/20 0.34
SCD O00767 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CNR1 P21554 1/20 0.33
RBP4 P02753 1/20 0.33
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3692326 0.93 SCD5 (0.35) PROKR1SCD5NAMPTKDM5ARAB9A
SCHEMBL3650160 0.93 RAB9A (0.37) PROKR1SCD5NAMPTKDM5ARAB9A
SCHEMBL3687263 0.91 SCD5 (0.38) PROKR1SCD5NAMPTKDM5ARAB9A
SCHEMBL3686117 0.91 SCD5 (0.36) PROKR1SCD5NAMPTKDM5ARAB9A
SCHEMBL3703066 0.91 PROKR1 (0.35) PROKR1SCD5NAMPTKDM5ARAB9A
SCHEMBL3687170 0.89 TUBB4A (0.38) SCD5RAB9ANPC1ATMCNR1
SCHEMBL3646183 0.88 ATM (0.36) PROKR1SCD5NAMPTKDM5ARAB9A
SCHEMBL3689182 0.87 RAB9A (0.37) PROKR1SCD5NAMPTKDM5ARAB9A
SCHEMBL3687840 0.86 SCD5 (0.39) PROKR1SCD5NAMPTKDM5ARAB9A
SCHEMBL3686875 0.85 SCD5 (0.40) PROKR1SCD5NAMPTKDM5ARAB9A

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 PROKR1 4829/4885SCD5 2314/4885NAMPT 65/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 PROKR1 4829/4885SCD5 2314/4885NAMPT 65/4885

“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.