SCHEMBL21730199

SCHEMBL21730199

NCc1ncccc1OCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 2/20 0.45
AOC3 Q16853 2/20 0.45
PDE5A O76074 2/20 0.43
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
SLC6A2 P23975 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADRB2 P07550 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL30880777 1.00 LOX (0.45) LOXAOC3PDE5AALDH1A1L3MBTL1
SCHEMBL13696631 0.83 LOX (0.41) LOXAOC3PDE5AALDH1A1L3MBTL1
SCHEMBL21730396 0.81 KDM1A (0.40) ALDH1A1L3MBTL1RAB9AKDM4EMAPT
SCHEMBL1759055 0.79 ALDH1A1 (0.48) PDE5AALDH1A1L3MBTL1MAPK1RAB9A
SCHEMBL21730330 0.78 HTR7 (0.50) ALDH1A1KDM4EADRB2
SCHEMBL17778295 0.78 ALDH1A1 (0.47) AOC3PDE5AALDH1A1L3MBTL1SLC6A2
SCHEMBL30554705 0.78 ALDH1A1 (0.47) AOC3PDE5AALDH1A1L3MBTL1SLC6A2
SCHEMBL73787 0.77 CYP2C9 (0.41) PDE5AKDM4ESLC6A2CYP11B1CYP11B2
SCHEMBL21730208 0.76 KDM4E (0.50) ALDH1A1L3MBTL1RAB9ATP53KDM4E
SCHEMBL30880819 0.76 KDM4E (0.50) ALDH1A1L3MBTL1RAB9ATP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-05-04 US disclosed
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-05-04 US disclosed
US-11571420-B2 Pyrazine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-02-07 US disclosed
US-11571420-B2 Pyrazine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-02-07 US disclosed
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-08-19 US disclosed
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-08-19 US disclosed
US-10898481-B2 Pyrazine compounds and uses thereof DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-01-26 US disclosed
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 US disclosed
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 US disclosed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 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 (5 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-10898481-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 LOX 3505/4885AOC3 3500/4885PDE5A 129/4885
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 LOX 3505/4885AOC3 3500/4885PDE5A 129/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 LOX 3505/4885AOC3 3500/4885PDE5A 129/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 LOX 3505/4885AOC3 3500/4885PDE5A 129/4885
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 LOX 3505/4885AOC3 3500/4885PDE5A 129/4885

“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.