SCHEMBL3689646

SCHEMBL3689646

O=C(c1nc2c(C(F)(F)F)cc(-c3cncnc3)cn2c1Cl)N1CCC(c2cccc(F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 6/20 0.46
CNR1 P21554 1/20 0.40
NAMPT P43490 2/20 0.38
RIPK1 Q13546 2/20 0.37
RBP4 P02753 5/20 0.37
PARP10 Q53GL7 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SPR P35270 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35

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
SCHEMBL3692456 0.91 SCD5 (0.54) SCD5CNR1RBP4NPC1RAB9A
SCHEMBL3695977 0.89 SCD5 (0.44) SCD5CNR1RBP4PROKR1
SCHEMBL3689990 0.89 KDM5A (0.45) SCD5CNR1RBP4SPRPROKR1
SCHEMBL3685882 0.89 SCD5 (0.44) SCD5CNR1RBP4PARP10PROKR1
SCHEMBL3694207 0.88 SCD5 (0.44) SCD5CNR1RBP4PARP10NPC1
SCHEMBL3694950 0.88 SCD5 (0.46) SCD5CNR1RBP4PARP10NPC1
SCHEMBL3690312 0.88 SCD5 (0.46) SCD5CNR1RBP4PARP10NPC1
SCHEMBL3692042 0.86 SCD5 (0.43) SCD5CNR1NAMPTRBP4NPC1
SCHEMBL3688733 0.86 SCD5 (0.47) SCD5CNR1RBP4PARP10NPC1
SCHEMBL3686632 0.85 SCD5 (0.49) SCD5CNR1RBP4PARP10NPC1

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 SCD5 2314/4885CNR1 524/4885NAMPT 65/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SCD5 2314/4885CNR1 524/4885NAMPT 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.