SCHEMBL4254740

SCHEMBL4254740

Cc1nc(Nc2ncc(C(=O)O)s2)cc(NC2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.49
LCK P06239 6/20 0.48
SIK1 P57059 11/20 0.44
SIK2 Q9H0K1 11/20 0.44
SIK3 Q9Y2K2 11/20 0.44
ABL1 P00519 10/20 0.44
SRC P12931 5/20 0.44
KIT P10721 2/20 0.44
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
YES1 P07947 1/20 0.44
LYN P07948 1/20 0.44
HCK P08631 1/20 0.44
FGR P09769 1/20 0.44
BCR P11274 1/20 0.44
JAK3 P52333 1/20 0.44
MAPK12 P53778 1/20 0.44

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
SCHEMBL4250766 0.84 LCK (0.53) LCKSIK1SIK2SIK3ABL1
SCHEMBL19436377 0.83 LCK (0.52) LCKSIK1SIK2SIK3ABL1
SCHEMBL14141859 0.80 LCK (0.52) LCKSIK1SIK2SIK3ABL1
SCHEMBL4254834 0.80 LCK (0.52) LCKSIK1SIK2SIK3ABL1
SCHEMBL14142362 0.80 LCK (0.52) LCKSIK1SIK2SIK3ABL1
SCHEMBL4252532 0.79 ABL1 (0.63) LCKSIK1SIK2SIK3ABL1
SCHEMBL4258285 0.77 MAPK14 (0.51) LCKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5204280 0.75 LCK (0.47) LCKSIK1SIK2SIK3ABL1
SCHEMBL4257532 0.75 SIK2 (0.67) LCKSIK1SIK2SIK3ABL1
SCHEMBL28334631 0.75 SIK1 (0.43) ITKLCKSIK1SIK2SIK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US claimed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP claimed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 WO claimed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US disclosed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP disclosed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 WO 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-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB ITK 796/4885LCK 56/4885SIK1 1137/4885

“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.