SCHEMBL21945283

SCHEMBL21945283

C/N=C/c1[nH]nnc1-c1cc(-c2cccc(C(F)(F)F)c2)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ MAPK14 Q16539 3/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ MAPK13 O15264 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK12 P53778 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
SCHEMBL21944826 0.86 PRF1 (0.38) NOTUMGAAMAPK1RAB9AIKBKB
SCHEMBL21945100 0.81 IKBKB (0.36) NOTUMRAB9AIKBKBPRMT6PRMT8
SCHEMBL21945039 0.79 CTSS (0.43) NOTUMIKBKBPRMT6PRMT8MAOB
SCHEMBL26070455 0.79 NOTUM (0.38) NOTUMGAAMAPK1RAB9AIKBKB
SCHEMBL18005562 0.77 CTSS (0.41) NOTUMGAAMAPK1RAB9AIKBKB
SCHEMBL21945164 0.77 MAOB (0.42) GAAMAOBIDO1XDHSCN2A
SCHEMBL21945203 0.77 PRMT6 (0.39) NOTUMIKBKBPRMT6PRMT8EPHX2
SCHEMBL21945135 0.76 ADORA2A (0.42) RAB9APRMT6PRMT8ADORA2A
SCHEMBL21945733 0.76 CYP1A2 (0.38) PRMT6PRMT8
SCHEMBL21945193 0.75 SLC6A2 (0.36) GAARAB9AIKBKBPRMT6PRMT8

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NOTUM 1379/4885GAA 343/4885MAPK1 231/4885

“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.

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