SCHEMBL14235390

SCHEMBL14235390

CC(C)Nc1cc(C(=O)CN(C)c2ccccc2)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.42
▸ 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 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ RET P07949 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ LRRK2 Q5S007 1/20 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
SCHEMBL14235388 0.89 HCAR3 (0.44) HCAR3HCAR2ADORA3ADORA2AADORA2B
SCHEMBL14235364 0.80 HCAR3 (0.50) HCAR3HCAR2ADORA3ADORA2AADORA2B
SCHEMBL14236011 0.74 HCAR3 (0.35) HCAR3HCAR2RETCHEK1PDGFRB
SCHEMBL14235819 0.74 HCAR3 (0.51) HCAR3HCAR2ADORA3ADORA2AADORA2B
SCHEMBL14236036 0.74 ADORA3 (0.50) HCAR3ADORA3ADORA2AADORA2BADORA1
SCHEMBL14235840 0.72 HCAR3 (0.50) HCAR3HCAR2ADORA3ADORA2AADORA2B
SCHEMBL14235599 0.70 HCAR3 (0.55) HCAR3HCAR2ADORA3ADORA2AADORA2B
SCHEMBL14213417 0.70 HCAR3 (0.54) HCAR3HCAR2ADORA3ADORA2AADORA2B
SCHEMBL14235839 0.70 HCAR3 (0.48) HCAR3HCAR2GAA
SCHEMBL14235837 0.69 HCAR3 (0.47) HCAR3

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 1809/4885ADORA3 4330/4885

“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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