Sugi Predict

Sugi Predict / Compounds / SCHEMBL7600434

SCHEMBL7600434

SCHEMBL7600434

Brc1ccc2nc(-c3cnc(C4CCCC4)[nH]3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ HPGDS O60760 2/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ TTK P33981 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2B P29275 1/20 0.31

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
SCHEMBL16478051 0.82 BACE1 (0.33) BACE1
SCHEMBL7600347 0.81 SCN10A (0.43) HPGDSSCN10AMAPK13MAPK12MAPK11
SCHEMBL7604946 0.80 HPGDS (0.43) HPGDSSCN10AMAPK13MAPK12MAPK11
SCHEMBL9977195 0.74 MAPK13 (0.52) NPC1RAB9AHPGDSSCN10AMAPK13
SCHEMBL7613757 0.73 L3MBTL1 (0.41) NPC1RAB9AKDM4EHPGDSCYP2D6
SCHEMBL10144846 0.73 MAPK13 (0.51) NPC1RAB9AHPGDSSCN10AMAPK13
SCHEMBL17014412 0.73 MAPK13 (0.51) NPC1RAB9AHPGDSSCN10AMAPK13
SCHEMBL14867365 0.72 NPC1 (0.41) NPC1RAB9AKDM4EHPGDSSCN10A
SCHEMBL7602073 0.72 HPGDS (0.48) HPGDSSCN10AMAPK13MAPK12MAPK11
SCHEMBL15430158 0.71 MAPK13 (0.41) HPGDSSCN10AMAPK13MAPK12MAPK11

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 BACE1 4175/4885NPC1 119/4885RAB9A 1313/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 BACE1 4102/4885NPC1 122/4885RAB9A 1482/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 BACE1 4102/4885NPC1 122/4885RAB9A 1482/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 BACE1 4102/4885NPC1 122/4885RAB9A 1482/4885

“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.