SCHEMBL5138420

SCHEMBL5138420

Cc1cccc(-c2nc3ccccn3c2-c2ccnc(NC(C)C)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.53
CDK4 P11802 6/20 0.53
CCNE1 P24864 5/20 0.53
MAPK13 O15264 3/20 0.43
MAPK1 P28482 2/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
LCK P06239 1/20 0.43
LYN P07948 1/20 0.43
AKT2 P31751 1/20 0.43
FLT4 P35916 1/20 0.43
FLT3 P36888 1/20 0.43
FRK P42685 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK1G2 P78368 1/20 0.43

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
SCHEMBL413105 0.92 MAPK13 (0.53) CDK2CDK4CCNE1MAPK13MAPK1
SCHEMBL5278215 0.92 MAPK13 (0.53) CDK2CDK4CCNE1MAPK13MAPK1
SCHEMBL409790 0.92 MAPK13 (0.53) CDK2CDK4CCNE1MAPK13MAPK1
SCHEMBL412401 0.88 CDK2 (0.56) CDK2CDK4CCNE1MAPK1GAA
SCHEMBL408705 0.84 ALDH1A1 (0.54) CDK2CDK4CCNE1MAPK1MAPK8
SCHEMBL410053 0.84 ALDH1A1 (0.52) CDK2CDK4CCNE1MAPK1MAPK8
SCHEMBL413669 0.83 MAPK8 (0.54) CDK2CDK4CCNE1MAPK1MAPK8
SCHEMBL411464 0.83 CDK2 (0.75) CDK2CDK4CCNE1PRKD3LCK
SCHEMBL412361 0.81 CDK2 (0.71) CDK2CDK4CCNE1
SCHEMBL411956 0.81 CDK2 (0.53) CDK2CDK4CCNE1MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
US-20060135517-A1 Imidazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. 2006-06-22 US claimed
EP-1546112-A4 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-06-07 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
EP-1546112-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-06-29 EP claimed
WO-2004021989-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 WO claimed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
US-20060135517-A1 Imidazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. 2006-06-22 US disclosed
EP-1546112-A4 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-06-07 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
EP-1546112-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-06-29 EP disclosed
WO-2004021989-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 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-20060135517-A1 Imidazolopyridines and methods of making and using the same ALK, ACVR1, ACVRL1 CDK2 515/4885CDK4 116/4885CCNE1 2528/4885

“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.