SCHEMBL21945193

SCHEMBL21945193

C/N=C/c1[nH]nnc1-c1cc(-c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ METAP2 P50579 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ RXRA P19793 3/20 0.33
▸ RXRB P28702 3/20 0.33
▸ RXRG P48443 3/20 0.33
▸ SCN2A Q99250 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 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
SCHEMBL21945100 0.86 IKBKB (0.36) RAB9ASMN1; SMN2KDM4EADORA2AADORA1
SCHEMBL21945696 0.85 NPSR1 (0.35) SLC6A2SLC6A4RAB9ASMN1; SMN2KDM4E
SCHEMBL21945716 0.84 PGR (0.34) RXRARXRBRXRGIKBKB
SCHEMBL21945209 0.81 MAOB (0.39) RAB9ASMN1; SMN2KDM4EGAAMAPT
SCHEMBL21945216 0.81 MAOB (0.39) RAB9ASMN1; SMN2KDM4EGAAMAPT
SCHEMBL21945235 0.80 CYP2A6 (0.43) RAB9ASMN1; SMN2ADORA2AADORA1GAA
SCHEMBL21944750 0.79 NFE2L2 (0.38) GAAPRMT6PRMT8MAOB
SCHEMBL21944766 0.78 PRMT6 (0.33) PRMT6PRMT8
SCHEMBL21945039 0.78 CTSS (0.43) KDM4EADORA2AADORA1GABRA2IKBKB
SCHEMBL21945244 0.77 POLB (0.33) ADORA2AADORA1MAPT

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 SLC6A2 2400/4885SLC6A4 3181/4885METAP2 2789/4885

“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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