SCHEMBL21915136

SCHEMBL21915136

CC(C)n1nc(-c2ccc(O)cc2)nc1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.56
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ESR1 P03372 1/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 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
SCHEMBL21914805 0.80 AOC3 (0.53) AOC3MEN1NPC1RAB9AKMT2A
SCHEMBL21915134 0.78 AOC3 (0.59) AOC3ABL1SRC
SCHEMBL21914531 0.77 AOC3 (0.57) AOC3MEN1NPC1RAB9AKMT2A
SCHEMBL22139719 0.74 AOC3 (0.47) AOC3ESR1USP7KDM4C
SCHEMBL21914564 0.73 AOC3 (0.55) AOC3PIK3CDABL1EGFRHCK
SCHEMBL21889547 0.72 AOC3 (0.57) AOC3ESR1MEN1NPC1RAB9A
SCHEMBL21889273 0.71 AOC3 (0.59) AOC3PIK3CDABL1EGFRHCK
SCHEMBL21914583 0.71 AOC3 (0.57) AOC3PIK3CDPIK3CAMTORPIK3CG
SCHEMBL21889060 0.69 AOC3 (0.36) AOC3KMT2A
SCHEMBL20924386 0.65 MEN1 (0.61) ESR1MEN1NPC1RAB9AKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP 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-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885PIK3CD 4350/4885ABL1 1535/4885

“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.