SCHEMBL10325150

SCHEMBL10325150

c1ccc(CN2CCN(c3ncnc4c3CCN4)CC23CC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.50
AKT1S1 Q96B36 13/20 0.45
RECQL P46063 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ABCB1 P08183 1/20 0.35
MAPT P10636 1/20 0.35
ABCC1 P33527 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL1048640 0.75 JAK3 (0.83) JAK3
SCHEMBL21995896 0.71 JAK3 (0.44) JAK3MAPT
SCHEMBL10325598 0.69 AKT1S1 (0.43) JAK3AKT1S1
SCHEMBL318828 0.69 JAK3 (0.86) JAK3
SCHEMBL21538581 0.69 JAK3 (0.90) JAK3
SCHEMBL10325519 0.68 JAK3 (0.52) JAK3AKT1S1
SCHEMBL10325843 0.67 JAK3 (0.41) JAK3AKT1S1
SCHEMBL10206821 0.67 JAK3 (1.00) JAK3
SCHEMBL323138 0.67 JAK3 (0.76) JAK3
SCHEMBL13512939 0.66 AKT2 (0.63) AKT1S1

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-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 3/4885AKT1S1 1359/4885RECQL 2311/4885

“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.