SCHEMBL3686632

SCHEMBL3686632

CC(=O)c1cc(C(F)(F)F)c2nc(C(=O)N3CCC(c4cccc(F)c4)C3)c(Cl)n2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.49
PARP10 Q53GL7 1/20 0.40
RBP4 P02753 7/20 0.40
CNR1 P21554 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
HSD11B1 P28845 1/20 0.39
SLC9A1 P19634 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39

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
SCHEMBL3688733 0.89 SCD5 (0.47) SCD5PARP10RBP4CNR1NPC1
SCHEMBL3687193 0.89 SCD5 (0.43) SCD5PARP10RBP4CNR1NPC1
SCHEMBL3692456 0.88 SCD5 (0.54) SCD5RBP4CNR1NPC1RAB9A
SCHEMBL3688428 0.87 SCD5 (0.42) SCD5PARP10RBP4CNR1NPC1
SCHEMBL3689990 0.86 KDM5A (0.45) SCD5RBP4CNR1PROKR1
SCHEMBL3682499 0.86 SCD5 (0.45) SCD5PARP10RBP4CNR1NPC1
SCHEMBL3689646 0.85 SCD5 (0.46) SCD5PARP10RBP4CNR1NPC1
SCHEMBL3695977 0.84 SCD5 (0.44) SCD5RBP4CNR1PROKR1
SCHEMBL3699773 0.84 SCD5 (0.42) SCD5RBP4CNR1PROKR1
SCHEMBL3694207 0.84 SCD5 (0.44) SCD5PARP10RBP4CNR1NPC1

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 2314/4885PARP10 3851/4885RBP4 1868/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SCD5 2314/4885PARP10 3851/4885RBP4 1868/4885

“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.