SCHEMBL4253276

SCHEMBL4253276

Cc1nc(Nc2ncc(C(=O)O)s2)cc(N2CCOCC2)n1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.66
SIK2 Q9H0K1 13/20 0.54
SIK3 Q9Y2K2 13/20 0.54
ABL1 P00519 12/20 0.54
SIK1 P57059 11/20 0.54
SRC P12931 3/20 0.53
BCR P11274 2/20 0.52
HDAC1 Q13547 2/20 0.52
PKMYT1 Q99640 1/20 0.51
KIT P10721 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50

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
SCHEMBL4257532 0.88 SIK2 (0.67) LCKSIK2SIK3ABL1SIK1
SCHEMBL19436378 0.87 ABL1 (0.66) LCKSIK2SIK3ABL1SIK1
SCHEMBL4252892 0.85 ABL1 (0.69) SIK2SIK3ABL1SIK1SRC
SCHEMBL3536666 0.84 ABL1 (0.75) LCKSIK2SIK3ABL1SIK1
SCHEMBL30144989 0.84 ABL1 (0.75) LCKSIK2SIK3ABL1SIK1
SCHEMBL14665835 0.84 ABL1 (0.64) LCKSIK2SIK3ABL1SIK1
SCHEMBL19436374 0.81 LCK (0.53) LCKSIK2SIK3ABL1SIK1
SCHEMBL19436379 0.81 ABL1 (0.51) LCKSIK2SIK3ABL1SIK1
SCHEMBL19436380 0.81 SIK2 (0.51) LCKSIK2SIK3ABL1SIK1
SCHEMBL773125 0.80 LCK (1.00) LCKSIK2SIK3ABL1SIK1

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 LCK 56/4885SIK2 832/4885SIK3 1485/4885

“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.