SCHEMBL3697888

SCHEMBL3697888

O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Br)N1CCC(c2ccccc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.41
ROCK2 O75116 11/20 0.41
RBP4 P02753 5/20 0.39
APLNR P35414 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3695868 0.91 PROKR1 (0.44) PROKR1ROCK2RBP4APLNRMAPT
SCHEMBL3683970 0.90 ROCK2 (0.51) PROKR1ROCK2RBP4MAPTRAB9A
SCHEMBL3696196 0.88 ROCK2 (0.43) PROKR1ROCK2RBP4RAB9A
SCHEMBL3687393 0.87 ROCK2 (0.43) PROKR1ROCK2RBP4
SCHEMBL3708965 0.87 RBP4 (0.46) ROCK2RBP4
SCHEMBL3695694 0.86 ROCK2 (0.38) PROKR1ROCK2RBP4MAPTRAB9A
SCHEMBL3685888 0.85 MAPT (0.39) PROKR1RBP4APLNRMAPTRAB9A
SCHEMBL3704741 0.84 ROCK2 (0.40) PROKR1ROCK2RBP4
SCHEMBL3689619 0.84 RBP4 (0.45) PROKR1ROCK2RBP4APLNRMAPT
SCHEMBL3690446 0.83 PROKR1 (0.36) PROKR1ROCK2RBP4

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 PROKR1 4829/4885ROCK2 4811/4885RBP4 1868/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 PROKR1 4829/4885ROCK2 4811/4885RBP4 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.