SCHEMBL18004385

SCHEMBL18004385

N#Cc1cccc(-c2ccc(-c3nn[nH]c3C#N)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.44
GABRG2 P18507 5/20 0.43
GABRB3 P28472 5/20 0.43
GABRA5 P31644 5/20 0.43
GABRA3 P34903 5/20 0.43
GABRA1 P14867 1/20 0.43
PGR P06401 3/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
IDO1 P14902 2/20 0.42
NOTUM Q6P988 1/20 0.42
MAOB P27338 1/20 0.42
AR P10275 1/20 0.41
AURKA O14965 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MAP4K4 O95819 1/20 0.41
PTPN5 P54829 1/20 0.41
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40

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
SCHEMBL18006152 0.93 CLK4 (0.45) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL18006033 0.88 MARK3 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL18006043 0.85 GP6 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL18006091 0.84 MMP3 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL18003968 0.84 ADORA1 (0.45) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL18004136 0.84 ADORA1 (0.45) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL18006087 0.84 AR (0.43) ADORA2AADORA1AR
SCHEMBL18006168 0.84 MAOA (0.43) ADORA1AURKAMAP4K4
SCHEMBL18004342 0.84 TAAR1 (0.44) PGRADORA2AADORA1IDO1NOTUM
SCHEMBL18006086 0.84 TAAR1 (0.44) GABRG2GABRB3GABRA5GABRA3ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CLK4 410/4885GABRG2 2334/4885GABRB3 1209/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CLK4 410/4885GABRG2 2334/4885GABRB3 1209/4885

“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.