SCHEMBL3554558

SCHEMBL3554558

Cc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)cnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.49
MAPK13 O15264 3/20 0.49
MAPK12 P53778 2/20 0.49
MAPK11 Q15759 2/20 0.49
CAMK2D Q13557 2/20 0.48
LCK P06239 4/20 0.48
FLT3 P36888 2/20 0.46
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
LYN P07948 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT2 P31751 1/20 0.45
FLT4 P35916 1/20 0.45
FRK P42685 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL3556311 0.87 DYRK1A (0.56) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3551857 0.86 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL3555366 0.81 IGF1R (0.41) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3555802 0.80 FLT3 (0.54) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3548953 0.80 FLT3 (0.49) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL14561207 0.77 MAPK14 (0.69) MAPK14MAPK13LCKFLT3PRKD3
SCHEMBL3555283 0.74 FLT3 (0.47) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3548797 0.73 CDK2 (0.68) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3557012 0.72 CAMK2D (0.47) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL3553849 0.70 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11LCK

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 MAPK14 680/4885MAPK13 678/4885MAPK12 957/4885

“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.