SCHEMBL14235388

SCHEMBL14235388

CC(C)Nc1cc(C(=O)CN(C)c2ccncc2)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.44
▸ PRKAB2 O43741 3/20 0.38
▸ PRKAG1 P54619 3/20 0.38
▸ PRKAA2 P54646 3/20 0.38
▸ PRKAA1 Q13131 3/20 0.38
▸ PRKAG3 Q9UGI9 3/20 0.38
▸ PRKAG2 Q9UGJ0 3/20 0.38
▸ PRKAB1 Q9Y478 3/20 0.38
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ ROCK1 Q13464 5/20 0.31
▸ ROCK2 O75116 5/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL14235390 0.89 HCAR3 (0.48) HCAR3ADORA3ADORA2AADORA2BADORA1
SCHEMBL14236011 0.86 HCAR3 (0.35) HCAR3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14235364 0.79 HCAR3 (0.50) HCAR3ADORA3ADORA2AADORA2BADORA1
SCHEMBL14235819 0.73 HCAR3 (0.51) HCAR3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14235840 0.71 HCAR3 (0.50) HCAR3ADORA3ADORA2AADORA2BADORA1
SCHEMBL14235599 0.70 HCAR3 (0.55) HCAR3ADORA3ADORA2AADORA2BADORA1
SCHEMBL14213417 0.70 HCAR3 (0.54) HCAR3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14235839 0.69 HCAR3 (0.48) HCAR3HCAR2ALPLMAOBGAA
SCHEMBL14213420 0.69 HCAR3 (0.50) HCAR3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14213418 0.69 HCAR3 (0.50) HCAR3PRKAB2PRKAG1PRKAA2PRKAA1

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 2267/4885PRKAB2 645/4885PRKAG1 220/4885

“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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