SCHEMBL18006388

SCHEMBL18006388

N#Cc1[nH]nnc1-c1cccc(OCCc2cccc(F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
GP6 Q9HCN6 1/20 0.36
MAOB P27338 4/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
NR4A2 P43354 1/20 0.36
ADORA2A P29274 1/20 0.36
F10 P00742 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
KMT2A Q03164 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 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
SCHEMBL18006387 0.91 KDM4E (0.41) SIRT2GP6MAOBNR4A2KDM4E
SCHEMBL18006355 0.87 MAOB (0.39) SIRT2GP6MAOBADORA2BADORA1
SCHEMBL18004882 0.86 SIRT2 (0.41) SIRT2MAOBNR4A2KDM4EMEN1
SCHEMBL18006259 0.84 MAOB (0.45) MAOBNR4A2KDM4EMEN1ALDH1A1
SCHEMBL18004881 0.83 GPR84 (0.39) SIRT2GP6MAOBNR4A2F10
SCHEMBL18004926 0.83 GPR84 (0.37) SIRT2GP6MAOBNR4A2KDM4E
SCHEMBL18006386 0.83 EGFR (0.39) SIRT2GP6ADORA1ADORA2AKDM4E
SCHEMBL18006339 0.82 HPGD (0.35) GP6KDM4EMEN1PPARGKMT2A
SCHEMBL18004052 0.81 MAOB (0.42) MAOBNR4A2MAOA
SCHEMBL18006019 0.81 ADORA2B (0.45) ADORA2BADORA1ADORA2AKDM4ECYP11B1

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 SIRT2 277/4885GP6 4719/4885MAOB 3664/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SIRT2 277/4885GP6 4719/4885MAOB 3664/4885

“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.