SCHEMBL1900921

SCHEMBL1900921

O=c1[nH]c2ccccc2nc1C=Cc1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.74
▸ KDM4E B2RXH2 7/20 0.74
▸ MEN1 O00255 7/20 0.74
▸ NPC1 O15118 6/20 0.74
▸ RAB9A P51151 6/20 0.74
▸ MAPT P10636 5/20 0.74
▸ ALDH1A1 P00352 4/20 0.74
▸ GAA P10253 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ FGFR1 P11362 2/20 0.61
▸ PDGFRB P09619 1/20 0.56
▸ FGFR3 P22607 1/20 0.56
▸ MGAM O43451 1/20 0.54
▸ PADI4 Q9UM07 1/20 0.53
▸ LDHA P00338 1/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ MAPK10 P53779 1/20 0.49
▸ CYP11B1 P15538 1/20 0.49
▸ CYP11B2 P19099 1/20 0.49

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
SCHEMBL28465286 0.86 KMT2A (1.00) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL28462890 0.80 NPC1 (0.71) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL6936350 0.78 RAB9A (0.78) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL7105109 0.78 RAB9A (0.78) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL24701466 0.75 RAB9A (0.72) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL7287858 0.73 TUBB4A (0.76) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL3977907 0.73 KDM4E (0.66) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL29953857 0.73 KDM4E (0.66) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL9000534 0.72 CYP11B1 (0.69) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL9000529 0.72 CYP11B1 (0.69) KMT2AKDM4EMEN1NPC1RAB9A

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 KMT2A 2442/4885KDM4E 765/4885MEN1 3743/4885
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC KMT2A 2584/4885KDM4E 856/4885MEN1 3710/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN KMT2A 2442/4885KDM4E 765/4885MEN1 3743/4885
US-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN KMT2A 2442/4885KDM4E 765/4885MEN1 3743/4885

“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.

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