SCHEMBL3687393

SCHEMBL3687393

O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Br)N1CCC(c2cccc(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.43
SCD5 Q86SK9 6/20 0.42
PROKR1 Q8TCW9 1/20 0.39
RBP4 P02753 2/20 0.37
CNR1 P21554 1/20 0.35
KDM5A P29375 1/20 0.35
PARP10 Q53GL7 1/20 0.35
NAMPT P43490 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
SCHEMBL3683970 0.92 ROCK2 (0.51) ROCK2SCD5PROKR1RBP4KDM5A
SCHEMBL3683430 0.92 SCD5 (0.42) ROCK2SCD5PROKR1RBP4CNR1
SCHEMBL3696196 0.92 ROCK2 (0.43) ROCK2SCD5PROKR1RBP4CNR1
SCHEMBL4453264 0.91 SCD5 (0.42) ROCK2SCD5PROKR1RBP4CNR1
SCHEMBL3685882 0.91 SCD5 (0.44) ROCK2SCD5PROKR1RBP4CNR1
SCHEMBL3688270 0.89 SCD5 (0.51) SCD5RBP4CNR1
SCHEMBL3697888 0.87 PROKR1 (0.41) ROCK2PROKR1RBP4
SCHEMBL3704741 0.87 ROCK2 (0.40) ROCK2SCD5PROKR1RBP4KDM5A
SCHEMBL3687818 0.86 SCD5 (0.47) SCD5RBP4CNR1NAMPT
SCHEMBL3691914 0.86 SCD5 (0.44) SCD5RBP4CNR1KDM5APARP10

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
CN-101842098-A Nitrogen-containing bicyclic chemical entities for the treatment of viral infections GENELABS TECH INC 2010-09-22 CN 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 ROCK2 4811/4885SCD5 2314/4885PROKR1 4829/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ROCK2 4811/4885SCD5 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.