SCHEMBL21945799

SCHEMBL21945799

C/N=C/c1[nH]nnc1-c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.42
▸ KIT P10721 4/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ POLQ O75417 1/20 0.32
▸ NTRK1 P04629 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ NTRK3 Q16288 1/20 0.31
▸ NTRK2 Q16620 1/20 0.31
▸ UTRN P46939 1/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ NAAA Q02083 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
SCHEMBL21945105 0.95 NOTUM (0.41) NOTUMKITKIF11GPR55PIK3CA
SCHEMBL21945041 0.73 MAPK14 (0.35) —
SCHEMBL18005803 0.73 NOTUM (0.45) NOTUMKITKIF11GPR55PIK3CA
SCHEMBL23294346 0.73 NOTUM (0.48) NOTUMKITKIF11PIK3CAPIK3CG
SCHEMBL21945211 0.71 MAOB (0.33) —
SCHEMBL21945209 0.71 MAOB (0.39) NPC1RAB9ANTRK3NTRK2
SCHEMBL21945216 0.71 MAOB (0.39) NPC1RAB9ANTRK3NTRK2
SCHEMBL21945709 0.71 MPL (0.42) NOTUM
SCHEMBL21944765 0.70 MAOB (0.34) —
SCHEMBL21945244 0.69 POLB (0.33) —

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 1379/4885KIT 4081/4885KIF11 3245/4885

“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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