SCHEMBL21945216

SCHEMBL21945216

C/N=C/c1[nH]nnc1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.36
▸ ATM Q13315 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ ALOX15 P16050 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ALPL P05186 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ MAPK10 P53779 1/20 0.33

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 1.00 MAOB (0.39) MAOBALDH1A1ATMCYP1A2CYP3A4
SCHEMBL21945246 0.86 ESR1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9SMN1; SMN2
SCHEMBL21945119 0.84 NOTUM (0.39) MAOBIDO1JAK2IKBKE
SCHEMBL21945193 0.81 SLC6A2 (0.36) MAOBALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL21945211 0.81 MAOB (0.33) MAOB
SCHEMBL21945235 0.80 CYP2A6 (0.43) CYP3A4CYP2C9SMN1; SMN2RAB9AGAA
SCHEMBL21944765 0.80 MAOB (0.34) MAOB
SCHEMBL21945244 0.79 POLB (0.33) L3MBTL1MAPTMKNK1HPGDALPL
SCHEMBL21945116 0.77 POLB (0.31) CYP1A2CYP3A4CYP2C9GAAMAPT
SCHEMBL21945229 0.77 LTA4H (0.39) MAOBCYP2C9RAB9ANPC1MAPK14

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 MAOB 3664/4885ALDH1A1 1611/4885ATM 675/4885

“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.

Send feedback