SCHEMBL21944755

SCHEMBL21944755

C/N=C/c1[nH]nnc1-c1cc(F)cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MAOB P27338 1/20 0.30
▸ PSD A5PKW4 2/20 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
SCHEMBL21945244 0.94 POLB (0.33) —
SCHEMBL21945116 0.91 POLB (0.31) —
SCHEMBL21944761 0.84 NOTUM (0.35) PGR
SCHEMBL21945211 0.79 MAOB (0.33) MAOB
SCHEMBL21945041 0.78 MAPK14 (0.35) MAOBPSD
SCHEMBL21945229 0.78 LTA4H (0.39) NPC1RAB9AMAOB
SCHEMBL21945716 0.77 PGR (0.34) PGR
SCHEMBL21945119 0.77 NOTUM (0.39) PGRMAOB
SCHEMBL21945216 0.74 MAOB (0.39) NPC1RAB9ASMN1; SMN2HSD17B10MAOB
SCHEMBL21945209 0.74 MAOB (0.39) NPC1RAB9ASMN1; SMN2HSD17B10MAOB

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 KDM1A 1772/4885GRM5 1425/4885PGR 4495/4885

“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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