SCHEMBL6744926

SCHEMBL6744926

Cc1[c]sc(-c2ccccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.53
KDM4E B2RXH2 10/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL351602 0.75 HTT (0.47) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL15048563 0.72 KDM4E (0.43) PDE10AKDM4ENPC1RAB9AMAPT
SCHEMBL694051 0.70 ALDH1A1 (0.42) PDE10AKDM4ENPC1RAB9AALDH1A1
SCHEMBL12203630 0.69 KDM4E (0.62) PDE10AKDM4ENPC1RAB9AMAPT
SCHEMBL745547 0.68 KDM4E (0.53) PDE10AKDM4ENPC1RAB9AMAPT
SCHEMBL10550468 0.67 KDM4E (0.71) PDE10AKDM4ENPC1RAB9AALDH1A1
SCHEMBL21474653 0.67 KDM4E (0.53) PDE10AKDM4ENPC1RAB9AMAPT
Dipyridyl SCHEMBL28760321 0.66 KDM4E (0.88) PDE10AKDM4ENPC1RAB9AMAPT
Dipyridyl SCHEMBL27651116 0.66 KDM4E (0.88) KDM4ENPC1RAB9AMAPTATM
Dipyridyl SCHEMBL3711450 0.66 KDM4E (1.00) KDM4ENPC1RAB9AMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268368-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Alios Biopharma, Inc. (US) 2018-01-17 EP claimed
WO-2016145103-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. (US) 2016-09-15 WO claimed
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 US claimed
US-20030114437-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-06-19 US claimed
EP-1278502-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-21 EP claimed
EP-1278502-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-01-29 EP claimed
WO-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO claimed
EP-3268368-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Alios Biopharma, Inc. (US) 2018-01-17 EP disclosed
WO-2016145103-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. (US) 2016-09-15 WO disclosed
WO-2016144351-A1 HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-09-15 WO disclosed
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 US disclosed
US-20030114437-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-06-19 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 (2 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-20030114437-A1 Protease inhibitors CTSS, CTSE, CTSF PDE10A 4404/4885KDM4E 2876/4885NPC1 690/4885
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF PDE10A 4404/4885KDM4E 2876/4885NPC1 690/4885

“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.