SCHEMBL21945068

SCHEMBL21945068

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ DRD1 P21728 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ BCR P11274 2/20 0.34
▸ CETP P11597 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ XDH P47989 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PRKCA P17252 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ PTPN5 P54829 1/20 0.31

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
SCHEMBL21945192 0.95 MAPT (0.37) MAPTABL1BCRCETPNPC1
SCHEMBL18004388 0.77 USP7 (0.40) DRD1ABL1BCRCETPNPC1
SCHEMBL21944846 0.77 CETP (0.36) MAPTCETP
SCHEMBL21945135 0.76 ADORA2A (0.42) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL26070332 0.76 CETP (0.35) DRD1ABL1BCRCETPNPC1
SCHEMBL21945216 0.76 MAOB (0.39) MAPTABL1NPC1RAB9ASMN1; SMN2
SCHEMBL21945209 0.76 MAOB (0.39) MAPTABL1NPC1RAB9ASMN1; SMN2
SCHEMBL21945119 0.76 NOTUM (0.39) —
SCHEMBL21945093 0.75 ADORA2A (0.41) MAPTSMN1; SMN2SCN9A
SCHEMBL21945246 0.74 ESR1 (0.38) SMN1; SMN2

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 MAPT 2196/4885DRD1 4556/4885ABL1 3292/4885

“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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