SCHEMBL18004201

SCHEMBL18004201

N#Cc1[nH]nnc1-c1cc(Cl)cc(-c2ccc(F)c(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
KDM1A O60341 2/20 0.37
FASN P49327 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
NOTUM Q6P988 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CNR1 P21554 2/20 0.34
MET P08581 1/20 0.33
IDO1 P14902 1/20 0.33
CYP17A1 P05093 1/20 0.33
PGR P06401 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL18006081 0.88 CYP11B1 (0.40) CYP11B1CYP11B2KDM1AGABRG2GABRB3
SCHEMBL18004372 0.87 CTSS (0.40) CYP11B1CYP11B2NOTUM
SCHEMBL18003813 0.86 GABRG2 (0.45) CYP11B1CYP11B2KDM1AFASNGABRG2
SCHEMBL18003805 0.86 ERBB2 (0.39) PGRADORA2AADORA1
SCHEMBL18004022 0.86 TRPA1 (0.41) CYP11B1CYP11B2KDM1AGABRG2GABRB3
SCHEMBL17969063 0.85 CTSK (0.34) CYP11B1CYP11B2NOTUM
SCHEMBL18004752 0.83 ERBB2 (0.41) KDM1A
SCHEMBL18006159 0.83 ADORA1 (0.38) PGRADORA2AADORA1
SCHEMBL18003859 0.83 TRPA1 (0.42) CYP11B1CYP11B2KDM1AGABRG2GABRB3
SCHEMBL18003740 0.83 ERBB2 (0.36) KDM1ACNR1PGRCNR2

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 CYP11B1 126/4885CYP11B2 227/4885KDM1A 1772/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP11B1 126/4885CYP11B2 227/4885KDM1A 1772/4885

“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.