SCHEMBL10366374

SCHEMBL10366374

Cc1cnc2cc(-c3ccc(Br)cc3)nn2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.48
RAB9A P51151 10/20 0.48
KDM4E B2RXH2 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
APP P05067 1/20 0.45
PAX8 Q06710 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AHR P35869 2/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1666734 0.85 NPC1 (0.48) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5057080 0.84 NPC1 (0.60) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9975888 0.84 NPC1 (0.48) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5310147 0.81 AHR (0.50) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5057039 0.76 RAB9A (0.49) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9975889 0.76 LIPG (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9903581 0.75 AHR (0.50) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1493441 0.75 SMN1; SMN2 (0.55) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10143654 0.72 NPC1 (0.64) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4154898 0.71 MAPT (0.49) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 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 (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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E NPC1 658/4885RAB9A 2683/4885KDM4E 2970/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 NPC1 353/4885RAB9A 3932/4885KDM4E 3082/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 NPC1 353/4885RAB9A 3932/4885KDM4E 3082/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E NPC1 658/4885RAB9A 2683/4885KDM4E 2970/4885

“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.