SCHEMBL18006174

SCHEMBL18006174

N#Cc1[nH]nnc1-c1cc(OCc2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MRGPRX4 Q96LA9 4/20 0.37
NR4A2 P43354 1/20 0.37
MAOB P27338 5/20 0.37
TRPA1 O75762 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SLC6A4 P31645 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
FFAR2 O15552 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
SCHEMBL18004316 0.90 MAOB (0.46) MRGPRX4NR4A2MAOB
SCHEMBL18004477 0.89 TRPA1 (0.38) USP7PDE4APDE4BPDE4CPDE4D
SCHEMBL18004313 0.88 MAOB (0.39) MRGPRX4NR4A2MAOBCTSS
SCHEMBL16398800 0.86 MRGPRX4 (0.39) MRGPRX4NR4A2MAOB
SCHEMBL18003762 0.86 USP7 (0.45) USP7TRPA1CTSSCTSKADORA2A
SCHEMBL18006219 0.86 MRGPRX4 (0.37) MRGPRX4NR4A2MAOB
SCHEMBL18006264 0.85 USP7 (0.44) USP7PDE4APDE4BPDE4CPDE4D
SCHEMBL18004167 0.85 TRPA1 (0.35) USP7PDE4APDE4BPDE4CPDE4D
SCHEMBL18004443 0.85 MAOB (0.40) MRGPRX4MAOB
SCHEMBL18004083 0.85 SOD1 (0.37) MRGPRX4NR4A2MAOBCTSSCTSK

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.