SCHEMBL7602073

SCHEMBL7602073

Brc1cccc(-c2cnc(C3CCCC3)[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.48
RPS6KB1 P23443 4/20 0.47
AKT1 P31749 2/20 0.47
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
RPS6KA5 O75582 1/20 0.39
RPS6KA4 O75676 1/20 0.39
RPS6KA3 P51812 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
RPS6KB2 Q9UBS0 1/20 0.39
RPS6KA6 Q9UK32 1/20 0.39
SCN10A Q9Y5Y9 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
SCHEMBL7600347 0.83 SCN10A (0.43) HPGDSRPS6KB1AKT1MAPK13MAPK12
SCHEMBL9977195 0.82 MAPK13 (0.52) HPGDSRPS6KB1AKT1KCNH2MAPK13
SCHEMBL17281352 0.82 HPGDS (0.62) HPGDSKCNH2SCN10A
SCHEMBL10144846 0.81 MAPK13 (0.51) HPGDSRPS6KB1AKT1KCNH2MAPK13
SCHEMBL17014412 0.81 MAPK13 (0.51) HPGDSRPS6KB1AKT1KCNH2MAPK13
SCHEMBL25518038 0.80 HPGDS (0.61) HPGDSKCNH2
SCHEMBL7602079 0.79 RPS6KB1 (0.42) HPGDSRPS6KB1AKT1KCNH2MAPK13
SCHEMBL16352857 0.79 HPGDS (0.46) HPGDSRPS6KB1AKT1KCNH2RPS6KA5
SCHEMBL9977369 0.78 MAPK13 (0.37) HPGDSRPS6KB1AKT1KCNH2MAPK13
SCHEMBL19566591 0.78 SCN10A (0.52) HPGDSKCNH2MAPK13MAPK12MAPK11

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 2418/4885RPS6KB1 765/4885AKT1 1119/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885RPS6KB1 609/4885AKT1 1087/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885RPS6KB1 609/4885AKT1 1087/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885RPS6KB1 609/4885AKT1 1087/4885

“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.