SCHEMBL8205966

SCHEMBL8205966

Cn1nc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ BRCA1 P38398 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NR1H2 P55055 1/20 0.43

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
SCHEMBL8214143 0.87 ALDH1A1 (0.54) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL11993125 0.86 MAPT (0.44) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL8215286 0.84 KMT2A (0.41) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL13510735 0.84 CALM1 (0.44) MAPTSMN1; SMN2NPC1RAB9ANR1H2
SCHEMBL8214146 0.84 NUDT14 (0.50) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL28251774 0.84 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL8218208 0.84 KDM4E (0.61) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL18134390 0.83 RECQL (0.44) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL8214222 0.82 ADORA2A (0.53) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL8212283 0.82 CYP2A6 (0.53) MAPTGAASMN1; SMN2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133115-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-15 — — US disclosed
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2014-04-24 — — US disclosed
US-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-26 — — US disclosed
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — US disclosed
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO disclosed
WO-2008021871-A2 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO disclosed
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 — — 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-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC KMT2A 2796/4885KDM4E 1726/4885ALDH1A1 923/4885
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L KMT2A 2326/4885KDM4E 556/4885ALDH1A1 4204/4885
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC KMT2A 2985/4885KDM4E 1545/4885ALDH1A1 1237/4885
US-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, O60361 KMT2A 2346/4885KDM4E 493/4885ALDH1A1 4184/4885

“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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