SCHEMBL7604946

SCHEMBL7604946

Brc1ccc2cc(-c3cnc(C4CCCC4)[nH]3)cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 11/20 0.43
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
BIRC5 O15392 1/20 0.35
RPS6KB1 P23443 4/20 0.35
AKT1 P31749 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34

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 0.86 SCN10A (0.43) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL9980576 0.83 MAPK13 (0.41) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL7600434 0.80 BACE1 (0.37) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL9977195 0.80 MAPK13 (0.52) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL17014412 0.78 MAPK13 (0.51) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL10144846 0.78 MAPK13 (0.51) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL7602073 0.78 HPGDS (0.48) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL15430158 0.76 MAPK13 (0.41) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL14867365 0.75 NPC1 (0.41) HPGDSSCN10ARPS6KB1AKT1CYP1A2
SCHEMBL7605047 0.74 SCN10A (0.38) HPGDSMAPK13MAPK12MAPK11MAPK14

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 HPGDS 2418/4885MAPK13 2158/4885MAPK12 2107/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885MAPK13 2347/4885MAPK12 2259/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885MAPK13 2347/4885MAPK12 2259/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885MAPK13 2347/4885MAPK12 2259/4885

“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.