SCHEMBL14213415

SCHEMBL14213415

COC(=O)CNC(=O)c1cc(NC(C)C)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ACR P10323 2/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ ALPL P05186 4/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL14236114 0.85 HCAR3 (0.44) HCAR3ACRSMN1; SMN2ALPLHDAC3
SCHEMBL14236018 0.81 ACR (0.60) HCAR3GAAADORA3ADORA2AADORA2B
SCHEMBL14213426 0.77 HCAR3 (0.53) HCAR3ADORA3ADORA2AADORA2BADORA1
SCHEMBL14213414 0.77 HCAR3 (0.53) HCAR3ADORA3ADORA2AADORA2BADORA1
SCHEMBL14213418 0.76 HCAR3 (0.50) HCAR3GAAADORA3ADORA2AADORA2B
SCHEMBL14213420 0.76 HCAR3 (0.50) HCAR3GAAADORA3ADORA2AADORA2B
SCHEMBL14213422 0.75 HCAR3 (0.57) HCAR3GAAADORA3ADORA2AADORA2B
SCHEMBL14213417 0.73 HCAR3 (0.54) HCAR3GAAADORA3ADORA2AADORA2B
SCHEMBL14235607 0.73 ACR (0.53) ACRSMN1; SMN2ALPL
SCHEMBL14236036 0.71 ADORA3 (0.50) HCAR3ADORA3ADORA2AADORA2BADORA1

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 2267/4885KDM4E 379/4885GAA 3071/4885

“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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