SCHEMBL18006159

SCHEMBL18006159

N#Cc1[nH]nnc1-c1ccc(-c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.38
ADORA2A P29274 4/20 0.38
ERBB2 P04626 1/20 0.37
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
CHKA P35790 1/20 0.34
GRM5 P41594 4/20 0.33
PGR P06401 2/20 0.33
ADORA2B P29275 2/20 0.32
MCL1 Q07820 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL18003805 0.91 ERBB2 (0.39) ADORA1ADORA2AERBB2GRM5PGR
SCHEMBL1250229 0.89 ERBB2 (0.47) ERBB2GRM5MCL1
SCHEMBL18004752 0.88 ERBB2 (0.41) ERBB2GRM5MCL1
SCHEMBL17969183 0.87 ERBB2 (0.49) ERBB2GRM5MCL1
SCHEMBL18003819 0.87 ADORA1 (0.45) ADORA1ADORA2AGRM5ADORA2BATM
SCHEMBL18006041 0.87 ADORA1 (0.44) ADORA1ADORA2ARXRARXRBCHKA
SCHEMBL18004342 0.87 TAAR1 (0.44) ADORA1ADORA2AGRM5PGRADORA2B
SCHEMBL18006164 0.85 CYP11B1 (0.48) ERBB2
SCHEMBL18003750 0.84 KIF11 (0.41) ADORA1RXRA
SCHEMBL18004201 0.83 CYP11B1 (0.40) ADORA1ADORA2APGR

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 3683/4885ERBB2 4040/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ADORA1 3010/4885ADORA2A 3683/4885ERBB2 4040/4885

“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.