SCHEMBL7602079

SCHEMBL7602079

Brc1cccc2cc(-c3cnc(C4CCCC4)[nH]3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 5/20 0.42
AKT1 P31749 3/20 0.42
HPGDS O60760 5/20 0.40
SCN10A Q9Y5Y9 1/20 0.38
PYGL P06737 2/20 0.37
KCNH2 Q12809 2/20 0.36
RPS6KA5 O75582 1/20 0.36
RPS6KA4 O75676 1/20 0.36
RPS6KA3 P51812 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36
RPS6KA6 Q9UK32 1/20 0.36
SSTR3 P32745 2/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 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
SCHEMBL7600347 0.80 SCN10A (0.43) RPS6KB1AKT1HPGDSSCN10APYGL
SCHEMBL7602073 0.79 HPGDS (0.48) RPS6KB1AKT1HPGDSSCN10AKCNH2
SCHEMBL16577384 0.77 RPS6KB1 (0.46) RPS6KB1AKT1HPGDSSCN10AKCNH2
SCHEMBL9977148 0.77 RPS6KB1 (0.41) RPS6KB1AKT1HPGDSSCN10AKCNH2
SCHEMBL9977195 0.76 MAPK13 (0.52) RPS6KB1AKT1HPGDSSCN10AKCNH2
SCHEMBL16352857 0.76 HPGDS (0.46) RPS6KB1AKT1HPGDSSCN10AKCNH2
SCHEMBL19566591 0.75 SCN10A (0.52) HPGDSSCN10AKCNH2SSTR3MAPK13
SCHEMBL9977369 0.75 MAPK13 (0.37) RPS6KB1AKT1HPGDSSCN10AKCNH2
SCHEMBL17014412 0.74 MAPK13 (0.51) RPS6KB1AKT1HPGDSSCN10AKCNH2
SCHEMBL10144846 0.74 MAPK13 (0.51) RPS6KB1AKT1HPGDSSCN10AKCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US 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 (4 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RPS6KB1 765/4885AKT1 1119/4885HPGDS 2418/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RPS6KB1 609/4885AKT1 1087/4885HPGDS 2085/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RPS6KB1 609/4885AKT1 1087/4885HPGDS 2085/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RPS6KB1 609/4885AKT1 1087/4885HPGDS 2085/4885

“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.