SCHEMBL14235599

SCHEMBL14235599

CCN(CC)C(=O)c1cc(NC(C)C)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.55
▸ ALPL P05186 2/20 0.46
▸ ACR P10323 1/20 0.41
▸ KMT2A Q03164 2/20 0.37
▸ HSP90AA1 P07900 3/20 0.35
▸ HSP90AB1 P08238 3/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ FLT3 P36888 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
SCHEMBL14235819 0.83 HCAR3 (0.51) HCAR3ALPLACRHCAR2ADORA3
SCHEMBL14213417 0.76 HCAR3 (0.54) HCAR3ALPLHCAR2SMN1; SMN2ADORA3
SCHEMBL14235364 0.75 HCAR3 (0.50) HCAR3ALPLACRHCAR2ADORA3
SCHEMBL14213422 0.75 HCAR3 (0.57) HCAR3ALPLACRSMN1; SMN2ADORA3
SCHEMBL14213418 0.73 HCAR3 (0.50) HCAR3ALPLACRHCAR2SMN1; SMN2
SCHEMBL14236018 0.72 ACR (0.60) HCAR3ALPLACRKMT2AADORA3
SCHEMBL14235840 0.72 HCAR3 (0.50) HCAR3KMT2AHCAR2SMN1; SMN2ADORA3
SCHEMBL14213414 0.72 HCAR3 (0.53) HCAR3ALPLACRADORA3ADORA2A
SCHEMBL14213426 0.72 HCAR3 (0.53) HCAR3ALPLACRADORA3ADORA2A
SCHEMBL14235390 0.70 HCAR3 (0.48) HCAR3ACRHCAR2ADORA3ADORA2A

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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 — — 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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 HCAR3 2267/4885ALPL 4794/4885ACR 4331/4885

“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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