SCHEMBL18004394

SCHEMBL18004394

N#Cc1[nH]nnc1-c1cc(Cl)cc(/C=C/c2cccc(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.40
▸ MAOA P21397 1/20 0.40
▸ ADORA2A P29274 3/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ ATM Q13315 1/20 0.38
▸ CHAT P28329 1/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ RELA Q04206 2/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ AKR1C3 P42330 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL18004387 0.93 ADORA1 (0.40) MAOBMAOAADORA2AADORA1ATM
SCHEMBL18004459 0.91 NFE2L2 (0.40) MAOBMAOA
SCHEMBL31622852 0.88 NFE2L2 (0.38) MAOBMAOAADORA2A
SCHEMBL16399194 0.88 NFE2L2 (0.38) MAOBMAOAADORA2A
SCHEMBL16399192 0.88 NFE2L2 (0.38) MAOBMAOAADORA2A
SCHEMBL18004514 0.88 AHR (0.45) MAOBADORA2AADORA1CYP1A2KDM4E
SCHEMBL18004389 0.85 USP7 (0.36) MAOBMAOAADORA2AADORA1RELA
SCHEMBL16398797 0.85 CHEK1 (0.39) ADORA2AADORA1
SCHEMBL16398795 0.85 CHEK1 (0.39) ADORA2AADORA1
SCHEMBL18004462 0.85 POLB (0.33) —

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 MAOB 3664/4885MAOA 4309/4885ADORA2A 3683/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAOB 3664/4885MAOA 4309/4885ADORA2A 3683/4885

“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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