SCHEMBL18005453

SCHEMBL18005453

CCc1oc(-c2cccc(OC(F)(F)F)c2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
USP7 Q93009 1/20 0.41
S1PR1 P21453 1/20 0.40
ATR Q13535 1/20 0.39
ADORA1 P30542 3/20 0.38
ADORA2A P29274 1/20 0.38
KDM5A P29375 1/20 0.38
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PDE4B Q07343 1/20 0.35
XDH P47989 2/20 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
SCHEMBL18005266 0.88 NOTUM (0.40) KDM5AKDM4EHPGDNPSR1TRPA1
SCHEMBL18005333 0.85 NOTUM (0.41) CTSSCTSKATRKDM4ENPC1
SCHEMBL18005302 0.83 USP7 (0.42) CTSSCTSKUSP7S1PR1ATR
SCHEMBL18005361 0.82 ALOX15 (0.46) CTSSCTSKADORA1ADORA2AGRM5
SCHEMBL18006151 0.79 USP7 (0.53) CTSSCTSKUSP7ATRADORA1
SCHEMBL18005053 0.79 CTSS (0.44) CTSSCTSKUSP7S1PR1ATR
SCHEMBL18005502 0.79 NOTUM (0.37) CTSSCTSKKDM4ENPC1HPGD
SCHEMBL18004248 0.78 USP7 (0.49) CTSSCTSKUSP7ADORA1ADORA2A
SCHEMBL18005318 0.78 CTSK (0.47) CTSSCTSKATRKDM4ENPC1
SCHEMBL18003861 0.77 USP7 (0.48) CTSSCTSKUSP7ATRADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
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 CTSS 2273/4885CTSK 2390/4885USP7 3039/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CTSS 2273/4885CTSK 2390/4885USP7 3039/4885

“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.