SCHEMBL20051812

SCHEMBL20051812

N#Cc1cccc(-c2coc(N)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.52
ADORA2A P29274 3/20 0.48
ADORA1 P30542 2/20 0.48
IDO1 P14902 2/20 0.48
NOTUM Q6P988 1/20 0.48
ATR Q13535 1/20 0.47
CLK4 Q9HAZ1 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
GRM5 P41594 2/20 0.43
KDM1A O60341 1/20 0.43
MAP4K4 O95819 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
SCHEMBL29614873 1.00 XDH (0.52) XDHADORA2AADORA1IDO1NOTUM
SCHEMBL29045675 0.80 LTA4H (0.51) ADORA2ANOTUMKDM1A
SCHEMBL14564374 0.77 ENPP3 (0.45) ADORA2AADORA1
SCHEMBL14065409 0.76 CA1 (0.40) XDHADORA2AADORA1
SCHEMBL901316 0.76 ASIC3 (0.56) XDHADORA2AADORA1IDO1ATR
SCHEMBL4539598 0.76 RAB9A (0.54) ADORA2AADORA1IDO1GRM5
SCHEMBL8119166 0.74 LTA4H (0.54) ADORA2AADORA1NOTUM
SCHEMBL29615077 0.73 GRM5 (0.50) XDHADORA2AADORA1IDO1NOTUM
SCHEMBL19471325 0.73 XDH (0.65) XDHADORA2AADORA1IDO1ATR
SCHEMBL30552612 0.73 ALDH1A1 (0.59) XDHADORA2AADORA1IDO1CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2022-06-28 US disclosed
CN-109803963-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-04-26 CN disclosed
US-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-09-16 US disclosed
EP-3523291-B1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-04-14 EP disclosed
WO-2018065768-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-12 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 (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-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 USP30, USP28, USP1 XDH 667/4885ADORA2A 4753/4885ADORA1 4702/4885
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 USP30, USP28, USP1 XDH 667/4885ADORA2A 4753/4885ADORA1 4702/4885

“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.