SCHEMBL3689182

SCHEMBL3689182

Cc1noc(Cc2c(C(=O)N3CCC(c4ccc(F)cc4)C3)nc3c(C(F)(F)F)cc(-c4ccoc4)cn23)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SCD5 Q86SK9 5/20 0.37
KDM5A P29375 1/20 0.35
MAP3K12 Q12852 1/20 0.34
PROKR1 Q8TCW9 2/20 0.33
NAMPT P43490 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 2/20 0.33
SCD O00767 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ENPP2 Q13822 1/20 0.32
CNR1 P21554 1/20 0.32
RBP4 P02753 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL3685847 0.87 PROKR1 (0.35) RAB9ANPC1SCD5KDM5AMAP3K12
SCHEMBL3687263 0.87 SCD5 (0.38) RAB9ANPC1SCD5KDM5AMAP3K12
SCHEMBL3686117 0.86 SCD5 (0.36) RAB9ANPC1SCD5KDM5AMAP3K12
SCHEMBL3650160 0.85 RAB9A (0.37) RAB9ANPC1SCD5KDM5AMAP3K12
SCHEMBL3686875 0.85 SCD5 (0.40) RAB9ANPC1SCD5KDM5APROKR1
SCHEMBL3692326 0.84 SCD5 (0.35) RAB9ANPC1SCD5KDM5AMAP3K12
SCHEMBL3687840 0.84 SCD5 (0.39) RAB9ANPC1SCD5KDM5AMAP3K12
SCHEMBL3646183 0.84 ATM (0.36) RAB9ANPC1SCD5KDM5APROKR1
SCHEMBL3689413 0.83 SCD5 (0.38) RAB9ANPC1SCD5KDM5AMAP3K12
SCHEMBL3703066 0.82 PROKR1 (0.35) RAB9ANPC1SCD5KDM5AMAP3K12

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 7 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
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 RAB9A 3638/4885NPC1 229/4885SCD5 2314/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RAB9A 3638/4885NPC1 229/4885SCD5 2314/4885

“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.