SCHEMBL18005302

SCHEMBL18005302

N#Cc1[nH]nnc1-c1nc(-c2cccc(OC(F)(F)F)c2)oc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.42
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
USP30 Q70CQ3 3/20 0.39
ATR Q13535 2/20 0.38
ADORA1 P30542 3/20 0.37
ADORA2A P29274 1/20 0.37
GRM5 P41594 1/20 0.36
PDE4B Q07343 2/20 0.35
KDM5A P29375 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
S1PR1 P21453 1/20 0.35
PIK3CB P42338 1/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL18005272 0.89 NOTUM (0.39) CTSSCTSKCTSLCTSBDHODH
SCHEMBL18005221 0.89 KDM4E (0.42) ADORA1ADORA2AKDM4ENPC1HPGD
SCHEMBL26070445 0.86 DHODH (0.39) USP7ATRGRM5PDE4BPDE4A
SCHEMBL16399129 0.86 NOTUM (0.40) CTSSCTSKATRKDM4ENPC1
SCHEMBL18005356 0.84 L3MBTL1 (0.40) ADORA1ADORA2AGRM5KDM4ENPC1
SCHEMBL18005453 0.83 CTSS (0.44) USP7CTSSCTSKUSP30ATR
SCHEMBL16399641 0.82 GRM5 (0.43) USP30ADORA1ADORA2AGRM5KDM4E
SCHEMBL18005305 0.82 NOTUM (0.39) CTSSCTSKATRADORA1CTSB
SCHEMBL18005224 0.82 NOTUM (0.39) CTSSCTSKATRCTSBKDM4E
SCHEMBL18005436 0.81 NOTUM (0.38) CTSSCTSKATRADORA1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 USP7 3039/4885CTSS 2273/4885CTSK 2390/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 USP7 3039/4885CTSS 2273/4885CTSK 2390/4885

“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.