SCHEMBL3689990

SCHEMBL3689990

Cn1cc(-c2cc(C(F)(F)F)c3nc(C(=O)N4CCC(c5cccc(F)c5)C4)c(Cl)n3c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.45
SCD5 Q86SK9 6/20 0.45
PROKR1 Q8TCW9 4/20 0.43
APLNR P35414 1/20 0.40
CNR1 P21554 1/20 0.39
SPR P35270 1/20 0.38
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
RBP4 P02753 2/20 0.36

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 0.90 SCD5 (0.54) SCD5CNR1SPRRBP4
SCHEMBL3689646 0.89 SCD5 (0.46) SCD5PROKR1CNR1SPRRBP4
SCHEMBL3695977 0.88 SCD5 (0.44) SCD5PROKR1CNR1RBP4
SCHEMBL3694207 0.88 SCD5 (0.44) SCD5PROKR1CNR1RBP4
SCHEMBL3685882 0.87 SCD5 (0.44) SCD5PROKR1CNR1RBP4
SCHEMBL3694950 0.86 SCD5 (0.46) KDM5ASCD5CNR1RBP4
SCHEMBL3690312 0.86 SCD5 (0.46) SCD5CNR1RBP4
SCHEMBL3686632 0.86 SCD5 (0.49) SCD5PROKR1CNR1RBP4
SCHEMBL3692042 0.85 SCD5 (0.43) SCD5CNR1RBP4
SCHEMBL3688733 0.85 SCD5 (0.47) SCD5CNR1RBP4

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 KDM5A 3315/4885SCD5 2314/4885PROKR1 4829/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 KDM5A 3315/4885SCD5 2314/4885PROKR1 4829/4885

“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.