SCHEMBL3586517

SCHEMBL3586517

CS(=O)(=O)NC1CCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.65
AKT1 P31749 1/20 0.64
DOT1L Q8TEK3 2/20 0.63
JAK2 O60674 11/20 0.61
JAK1 P23458 5/20 0.61
LCK P06239 1/20 0.60
AKT2 P31751 2/20 0.58
GSK3B P49841 2/20 0.58
KIT P10721 1/20 0.58
TYK2 P29597 2/20 0.58

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
SCHEMBL24804219 0.93 LCK (0.67) JAK3DOT1LJAK2JAK1LCK
SCHEMBL30008783 0.86 JAK2 (0.64) JAK3DOT1LJAK2JAK1LCK
SCHEMBL10074310 0.84 DOT1L (0.86) JAK3DOT1LJAK2JAK1LCK
SCHEMBL15170325 0.84 DOT1L (0.86) JAK3DOT1LJAK2JAK1LCK
SCHEMBL24805927 0.83 AKT2 (0.67) JAK3DOT1LJAK2JAK1LCK
SCHEMBL30009536 0.83 JAK2 (0.56) JAK3DOT1LJAK2JAK1LCK
SCHEMBL3951434 0.81 JAK3 (0.65) JAK3AKT1DOT1LJAK2JAK1
SCHEMBL12612717 0.80 DOT1L (0.56) JAK3AKT1DOT1LJAK2JAK1
SCHEMBL2019902 0.80 JAK3 (0.62) JAK3DOT1LJAK2JAK1LCK
SCHEMBL12612895 0.80 AKT1 (0.52) JAK3AKT1DOT1LJAK2JAK1

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-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 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-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885AKT1 1203/4885DOT1L 2111/4885

“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.