SCHEMBL1898286

SCHEMBL1898286

O=c1[nH]c2ccccc2nc1C=Cc1cccs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.63
▸ RAB9A P51151 10/20 0.63
▸ KMT2A Q03164 9/20 0.63
▸ KDM4E B2RXH2 7/20 0.63
▸ MEN1 O00255 7/20 0.63
▸ MAPT P10636 6/20 0.63
▸ ALDH1A1 P00352 6/20 0.63
▸ USP2 O75604 1/20 0.60
▸ FGFR1 P11362 2/20 0.59
▸ GAA P10253 2/20 0.58
▸ PDGFRB P09619 1/20 0.58
▸ FGFR3 P22607 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ MGAM O43451 2/20 0.57
▸ PLA2G10 O15496 1/20 0.57
▸ PLA2G2A P14555 1/20 0.57
▸ PLA2G5 P39877 1/20 0.57
▸ PLA2G12A Q9BZM1 1/20 0.57
▸ HSD17B10 Q99714 2/20 0.55

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
SCHEMBL1898285 1.00 NPC1 (0.63) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL2458817 0.80 NPC1 (0.59) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL2458821 0.80 NPC1 (0.59) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL10373957 0.78 GRM4 (0.46) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL30678029 0.78 FGFR1 (0.62) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL29115693 0.78 FGFR1 (0.62) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL28465286 0.78 KMT2A (1.00) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL3977907 0.77 KDM4E (0.66) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL29953857 0.77 KDM4E (0.66) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL6936350 0.73 RAB9A (0.78) NPC1RAB9AKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143727-B1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2015-01-21 — — EP disclosed
US-8236807-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-08-07 — — US disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 — — US disclosed
US-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS NAKAJIMA SUANNE 2010-01-21 — — US disclosed
EP-2143727-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2010-01-13 — — EP disclosed
EP-1615613-B1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2009-11-04 — — EP disclosed
US-7566719-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-07-28 — — US disclosed
US-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC 2008-06-26 — — US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 — — US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 — — US disclosed
EP-1615613-A4 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-02-14 — — EP disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
EP-1615613-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2006-01-18 — — EP disclosed
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2004-12-30 — — US disclosed
WO-2004093798-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-11-04 — — 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-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN NPC1 398/4885RAB9A 2638/4885KMT2A 2442/4885
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC NPC1 368/4885RAB9A 2677/4885KMT2A 2584/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN NPC1 398/4885RAB9A 2638/4885KMT2A 2442/4885
US-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN NPC1 398/4885RAB9A 2638/4885KMT2A 2442/4885

“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.

Send feedback