SCHEMBL14236011

SCHEMBL14236011

CNc1cc(C(=O)CN(C)c2ccncc2)[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAG3 Q9UGI9 1/20 0.35
▸ PRKAG2 Q9UGJ0 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ ROCK1 Q13464 5/20 0.33
▸ ROCK2 O75116 4/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HDAC1 Q13547 3/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 1/20 0.32

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
SCHEMBL14235388 0.86 HCAR3 (0.44) HCAR3HCAR2PRKAB2PRKAG1PRKAA2
SCHEMBL14235370 0.75 HCAR3 (0.47) HCAR3HCAR2GAAHPGDMAPK1
SCHEMBL14235390 0.74 HCAR3 (0.48) HCAR3HCAR2GAAMAPK1CHEK1
SCHEMBL14235484 0.70 ALPL (0.46) HCAR3HCAR2MAPK1CHEK1RET
SCHEMBL23717989 0.68 HCAR3 (0.44) HCAR3HCAR2GAAMAPK1CHEK1
SCHEMBL3905837 0.68 CHRM5 (0.46) HPGDHDAC1CHRM5CHKA
Hydrochloric Acid SCHEMBL3907034 0.67 CHRM5 (0.45) HPGDHDAC1HDAC3CHRM5CHKA
SCHEMBL14236021 0.67 PLA2G10 (0.44) HCAR3HCAR2GAAMAPK1CHEK1
SCHEMBL279927 0.67 HTT (0.49) GAAHPGDCHRM5CHKA
SCHEMBL14235827 0.67 HCAR3 (0.46) HCAR3HCAR2

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 2267/4885HCAR2 1809/4885PRKAB2 645/4885

“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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