SCHEMBL18005504

SCHEMBL18005504

N#Cc1[nH]nnc1-c1ccn(-c2ccc(Cc3ccccc3)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
GRM5 P41594 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
CNR2 P34972 1/20 0.31
CYP19A1 P11511 1/20 0.30
DRD4 P21917 1/20 0.30
LTA4H P09960 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30

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
SCHEMBL18005632 0.90 GRM5 (0.41) HPGDGRM5FNTAFNTBPGGT1B
SCHEMBL18005623 0.83 NOTUM (0.36) HPGDGRM5
SCHEMBL18006124 0.82 CNR2 (0.38) HPGDCNR2LTA4H
SCHEMBL18005530 0.77 TRPA1 (0.36)
SCHEMBL18006066 0.76 HRH3 (0.38) HPGDCYP19A1
SCHEMBL18005503 0.73 ALDH1A1 (0.42) HPGDHCAR1
SCHEMBL12386160 0.73 ERBB2 (0.46) HPGDGRM5
SCHEMBL18004822 0.71 ADH5 (0.49)
SCHEMBL18004136 0.70 ADORA1 (0.45) HPGD
SCHEMBL18003968 0.70 ADORA1 (0.45) HPGD

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 HPGD 2152/4885GRM5 1425/4885HCAR1 340/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 HPGD 2152/4885GRM5 1425/4885HCAR1 340/4885

“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.