SCHEMBL18006264

SCHEMBL18006264

N#Cc1[nH]nnc1-c1cccc(COc2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.44
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAOB P27338 1/20 0.39
TRPA1 O75762 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
DYRK1A Q13627 1/20 0.38
NR4A2 P43354 1/20 0.37
F2 P00734 1/20 0.37
FFAR1 O14842 1/20 0.37
KDM5A P29375 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37

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
SCHEMBL18006266 0.93 MRGPRX4 (0.46) USP7PDE4APDE4BPDE4CPDE4D
SCHEMBL18004689 0.87 MRGPRX4 (0.47) MAOBMRGPRX4NR4A2
SCHEMBL18006259 0.86 MAOB (0.45) MAOBMRGPRX4NR4A2F2FFAR1
SCHEMBL18006248 0.86 MAOB (0.49) MAOBMRGPRX4FFAR1
SCHEMBL18004687 0.85 NR4A2 (0.45) MAOBMRGPRX4NR4A2F2FFAR1
SCHEMBL18006151 0.85 USP7 (0.53) USP7PDE4BTRPA1CTSSCTSK
SCHEMBL18003993 0.85 NR4A2 (0.50) MAOBMRGPRX4NR4A2FFAR1
SCHEMBL18006263 0.85 FFAR1 (0.41) USP7CTSSMRGPRX4FFAR1CYP11B1
SCHEMBL18004945 0.85 USP7 (0.40) USP7PDE4APDE4BPDE4CPDE4D
SCHEMBL18006174 0.85 USP7 (0.39) USP7PDE4APDE4BPDE4CPDE4D

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 USP7 3039/4885PDE4A 3564/4885PDE4B 3771/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 USP7 3039/4885PDE4A 3564/4885PDE4B 3771/4885

“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.