SCHEMBL3548797

SCHEMBL3548797

Cc1nc2ccccn2c1-c1ccnc(N[C@@H](C)c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.68
CDK4 P11802 6/20 0.68
CCNE1 P24864 5/20 0.68
MAPK13 O15264 3/20 0.54
MAPK14 Q16539 3/20 0.54
MAPK12 P53778 2/20 0.54
MAPK11 Q15759 2/20 0.54
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
LCK P06239 1/20 0.52
LYN P07948 1/20 0.52
MAPK1 P28482 1/20 0.52
AKT2 P31751 1/20 0.52
FLT4 P35916 1/20 0.52
FLT3 P36888 1/20 0.52
FRK P42685 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52

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 0.87 MAPK13 (0.53) CDK2CDK4CCNE1MAPK13MAPK14
SCHEMBL409790 0.87 MAPK13 (0.53) CDK2CDK4CCNE1MAPK13MAPK14
SCHEMBL5278215 0.87 MAPK13 (0.53) CDK2CDK4CCNE1MAPK13MAPK14
SCHEMBL3550097 0.84 MAPK14 (0.52) CDK2CDK4CCNE1MAPK13MAPK14
SCHEMBL3556311 0.81 DYRK1A (0.56) CDK2CDK4MAPK13MAPK14MAPK12
SCHEMBL3549577 0.79 CDK2 (0.43) CDK2CDK4CCNE1MAPK13MAPK14
SCHEMBL5138420 0.77 CDK2 (0.53) CDK2CDK4CCNE1MAPK13MAPK14
SCHEMBL4317834 0.77 CDK2 (1.00) CDK2CDK4CCNE1CDK1KDM4E
SCHEMBL1684643 0.77 CDK2 (0.86) CDK2CDK4CCNE1PRKD3MAP4K4
SCHEMBL21208238 0.76 CDK2 (0.74) CDK2CDK4CCNE1PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A CDK2 72/4885CDK4 39/4885CCNE1 82/4885

“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.