SCHEMBL18006019

SCHEMBL18006019

N#Cc1[nH]nnc1-c1cccc(-c2cccc(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA2A P29274 1/20 0.45
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
CHUK O15111 1/20 0.41
TAAR1 Q96RJ0 3/20 0.38
HTR7 P34969 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MAP4K4 O95819 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL18006086 0.93 TAAR1 (0.44) ADORA2BADORA1ADORA2AGABRG2GABRB3
SCHEMBL18006017 0.90 GABRG2 (0.42) ADORA2BADORA1ADORA2AGABRG2GABRB3
SCHEMBL18004757 0.89 ADORA2A (0.35) ADORA2BADORA1ADORA2AKDM4ERXFP1
SCHEMBL18004669 0.88 CYP11B2 (0.47) ADORA2BADORA1ADORA2AGABRG2GABRB3
SCHEMBL18004329 0.86 GP6 (0.42) ADORA2BADORA1ADORA2AGABRG2GABRB3
SCHEMBL18006060 0.86 ADORA1 (0.37) ADORA2BADORA1ADORA2AGABRG2GABRB3
SCHEMBL18003813 0.86 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL18006047 0.86 CYP11B1 (0.36) ADORA2BADORA1ADORA2AGABRG2GABRB3
SCHEMBL18004395 0.85 NFE2L2 (0.46) ADORA2BADORA1ADORA2A
SCHEMBL18006043 0.85 GP6 (0.41) ADORA1ADORA2AGABRG2GABRB3GABRA5

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