SCHEMBL18004387

SCHEMBL18004387

N#Cc1[nH]nnc1-c1cccc(/C=C/c2cccc(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.40
▸ ADORA2A P29274 5/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ ATM Q13315 1/20 0.39
▸ MAOB P27338 3/20 0.39
▸ MAOA P21397 1/20 0.39
▸ CHAT P28329 1/20 0.38
▸ GSR P00390 1/20 0.37
▸ RELA Q04206 2/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 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
SCHEMBL18004394 0.93 MAOB (0.40) ADORA1ADORA2AADORA2BATMMAOB
SCHEMBL18015139 0.92 CHEK1 (0.33) ADORA1ADORA2AADORA2BATM
SCHEMBL18004469 0.91 AHR (0.34) ADORA1ADORA2AADORA2BATMMAOB
SCHEMBL18004357 0.88 CHEK1 (0.36) ADORA1ADORA2AADORA2BMAOBMAOA
SCHEMBL18005965 0.88 ADORA1 (0.50) ADORA1ADORA2AADORA2BATMGSR
SCHEMBL18004425 0.86 FBP1 (0.42) ADORA1ADORA2AADORA2BMAOB
SCHEMBL18004423 0.85 NFE2L2 (0.44) CYP1A2RAB9ACYP1A1CYP1B1
SCHEMBL18004395 0.85 NFE2L2 (0.46) ADORA1ADORA2AADORA2BMAOBMAOA
SCHEMBL16399104 0.85 ALDH1A1 (0.34) MAOBMAOAKDM4ENPC1
SCHEMBL16399106 0.85 ALDH1A1 (0.34) MAOBMAOAKDM4ENPC1

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 ADORA1 3010/4885ADORA2A 3683/4885ADORA2B 4177/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ADORA1 3010/4885ADORA2A 3683/4885ADORA2B 4177/4885

“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.

Send feedback