SCHEMBL3689619

SCHEMBL3689619

O=C(c1cn2cc(-c3cn[nH]c3)cc(C(F)(F)F)c2n1)N1CCC(c2ccccc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 8/20 0.45
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PROKR1 Q8TCW9 1/20 0.42
ROCK2 O75116 5/20 0.40
KDM5A P29375 1/20 0.40
SCD5 Q86SK9 2/20 0.39
ALDH1A1 P00352 1/20 0.38
APLNR P35414 1/20 0.37

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
SCHEMBL3688471 0.87 ROCK2 (0.43) RBP4RAB9APROKR1ROCK2KDM5A
SCHEMBL3693805 0.87 SCD5 (0.47) RBP4PROKR1ROCK2KDM5ASCD5
SCHEMBL3651467 0.85 RBP4 (0.47) RBP4MAPTRAB9AL3MBTL1PROKR1
SCHEMBL3695868 0.84 PROKR1 (0.44) RBP4MAPTRAB9AL3MBTL1PROKR1
SCHEMBL3697888 0.84 PROKR1 (0.41) RBP4MAPTRAB9AL3MBTL1PROKR1
SCHEMBL3693642 0.79 SCN9A (0.38) RBP4PROKR1ROCK2KDM5A
SCHEMBL3708965 0.79 RBP4 (0.46) RBP4ROCK2SCD5
Hydrochloric Acid SCHEMBL3695164 0.79 SCN9A (0.37) RBP4PROKR1ROCK2KDM5A
SCHEMBL3695467 0.76 SCD5 (0.58) RBP4RAB9AKDM5ASCD5
SCHEMBL13261951 0.75 AURKB (0.35) PROKR1ROCK2KDM5A

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 9 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
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 RBP4 1868/4885MAPT 1692/4885RAB9A 3638/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RBP4 1868/4885MAPT 1692/4885RAB9A 3638/4885

“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.