SCHEMBL10318261

SCHEMBL10318261

N#Cc1ccc(CC(=O)N2[C@@H]3CC[C@@H]2CN(c2ncnc4[nH]ccc24)C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.55
JAK2 O60674 13/20 0.55
JAK1 P23458 8/20 0.55
TYK2 P29597 5/20 0.55
AKT1 P31749 2/20 0.53

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
SCHEMBL1050577 1.00 JAK3 (0.55) JAK3JAK2JAK1TYK2AKT1
SCHEMBL1050223 0.91 JAK3 (0.54) JAK3JAK2JAK1TYK2
SCHEMBL10321067 0.91 JAK3 (0.54) JAK3JAK2JAK1TYK2
SCHEMBL10319155 0.89 JAK3 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL1049611 0.89 JAK3 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL10277416 0.87 BTK (0.54) JAK3JAK2JAK1TYK2
SCHEMBL10316950 0.87 BTK (0.54) JAK3JAK2JAK1TYK2
SCHEMBL16144760 0.87 BTK (0.54) JAK3JAK2JAK1TYK2
SCHEMBL10277246 0.86 JAK3 (0.52) JAK3JAK2JAK1TYK2
SCHEMBL12958068 0.86 JAK3 (0.52) JAK3JAK2JAK1TYK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 US disclosed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 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-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS JAK1, JAK2, JAK3 JAK3 3/4885JAK2 2/4885JAK1 1/4885

“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.