SCHEMBL14235370

SCHEMBL14235370

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.47
▸ HPGD P15428 3/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.37
▸ ALDH1A1 P00352 8/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GAA P10253 2/20 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
SCHEMBL14236011 0.75 HCAR3 (0.35) HCAR3HPGDHCAR2MAPK1GAA
SCHEMBL23717989 0.74 HCAR3 (0.44) HCAR3HCAR2MAPTMAPK1RAB9A
SCHEMBL14235484 0.73 ALPL (0.46) HCAR3HCAR2ALDH1A1MAPK1RAB9A
SCHEMBL14236021 0.73 PLA2G10 (0.44) HCAR3HCAR2ALDH1A1MAPTLMNA
SCHEMBL14235827 0.73 HCAR3 (0.46) HCAR3HCAR2
SCHEMBL14235360 0.72 ALDH1A1 (0.38) HCAR3HPGDALDH1A1MAPTKDM4E
SCHEMBL14235826 0.70 HCAR3 (0.58) HCAR3HCAR2ALDH1A1MAPK1TSHR
SCHEMBL23682715 0.68 HCAR3 (0.39) HCAR3HCAR2MAPTLMNAMAPK1
SCHEMBL14235828 0.68 ALPL (0.51) HCAR3HCAR2ALDH1A1LMNAMAPK1
SCHEMBL14235831 0.68 ALPL (0.54) HCAR3HPGDMAPTRAB9AGAA

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 2267/4885HPGD 735/4885HCAR2 1809/4885

“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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