SCHEMBL21945119

SCHEMBL21945119

C/N=C/c1[nH]nnc1-c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ PGR P06401 5/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35

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
SCHEMBL21945209 0.84 MAOB (0.39) IDO1JAK2MAOBIKBKE
SCHEMBL21945216 0.84 MAOB (0.39) IDO1JAK2MAOBIKBKE
SCHEMBL21945116 0.83 POLB (0.31) ADORA2AADORA1
SCHEMBL23339777 0.82 PGR (0.43) NOTUMIDO1JAK2TAAR1PGR
SCHEMBL21945244 0.82 POLB (0.33) ADORA2AADORA1
SCHEMBL21944787 0.80 SMPD1 (0.41) ALOX5MAOB
SCHEMBL21945246 0.80 ESR1 (0.38) NOTUMESR2ALOX5ADORA2AADORA1
SCHEMBL21944761 0.79 NOTUM (0.35) NOTUMPGR
SCHEMBL21945229 0.77 LTA4H (0.39) MAOB
SCHEMBL21944755 0.77 KDM1A (0.32) PGRMAOB

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 1379/4885IDO1 2430/4885JAK2 524/4885

“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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