SCHEMBL18004408

SCHEMBL18004408

N#Cc1[nH]nnc1-c1cccc(OCc2ccc(Cl)c(OC(F)(F)F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.41
▸ KDM5A P29375 2/20 0.41
▸ CYP11B1 P15538 4/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ 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
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ MRGPRX4 Q96LA9 5/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL18004427 0.93 SCN1A (0.40) CYP11B1CYP11B2USP7PDE4APDE4B
SCHEMBL18004188 0.90 USP7 (0.39) KDM5ACYP11B1CYP11B2USP7PDE4A
SCHEMBL18004036 0.88 KDM4A (0.38) KDM4AKDM5AMRGPRX4NOTUM
SCHEMBL18004424 0.88 FFAR1 (0.39) KDM5ACYP11B1CYP11B2USP7PDE4A
SCHEMBL18004043 0.87 IDO1 (0.41) CYP11B1CYP11B2NR1H2NR1H3MRGPRX4
SCHEMBL18006409 0.85 NR1H2 (0.40) CYP11B1CYP11B2NR1H2NR1H3MRGPRX4
SCHEMBL18006264 0.84 USP7 (0.44) KDM5ACYP11B1CYP11B2USP7PDE4A
SCHEMBL18004434 0.84 USP7 (0.41) KDM5ACYP11B1CYP11B2USP7PDE4A
SCHEMBL18005970 0.82 NR4A2 (0.46) CYP11B1CYP11B2KDM4EMEN1ALDH1A1
SCHEMBL16399337 0.81 NR1H2 (0.38) CYP11B1CYP11B2USP7NR1H2NR1H3

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 KDM4A 3148/4885KDM5A 2810/4885CYP11B1 126/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KDM4A 3148/4885KDM5A 2810/4885CYP11B1 126/4885

“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.

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