SCHEMBL18004342

SCHEMBL18004342

N#Cc1[nH]nnc1-c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
ADORA1 P30542 5/20 0.44
ADORA2A P29274 5/20 0.44
ADORA2B P29275 2/20 0.44
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GRM5 P41594 2/20 0.41
MAOB P27338 2/20 0.41
IDO1 P14902 1/20 0.41
JAK2 O60674 1/20 0.40
GSR P00390 1/20 0.40
PGR P06401 1/20 0.40
NOTUM Q6P988 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL18005965 0.93 ADORA1 (0.50) ADORA1ADORA2AADORA2BATMKDM4E
SCHEMBL18004337 0.89 USP30 (0.41) TAAR1ADORA1ADORA2AADORA2BATM
SCHEMBL18006159 0.87 ADORA1 (0.38) ADORA1ADORA2AADORA2BATMGRM5
SCHEMBL18006041 0.86 ADORA1 (0.44) ADORA1ADORA2AADORA2BATMKDM4E
SCHEMBL1250229 0.85 ERBB2 (0.47) KDM4EGRM5
SCHEMBL18004385 0.84 CLK4 (0.44) ADORA1ADORA2AMAOBIDO1PGR
SCHEMBL18006043 0.84 GP6 (0.41) ADORA1ADORA2AKDM4E
SCHEMBL18004136 0.83 ADORA1 (0.45) ADORA1ADORA2AKDM4ENOTUM
SCHEMBL17969183 0.83 ERBB2 (0.49) KDM4EGRM5
SCHEMBL18003968 0.83 ADORA1 (0.45) ADORA1ADORA2AKDM4ENOTUM

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 TAAR1 1962/4885ADORA1 3010/4885ADORA2A 3683/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TAAR1 1962/4885ADORA1 3010/4885ADORA2A 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.