SCHEMBL3011533

SCHEMBL3011533

CCOc1ccc(Nc2c(CC)c(N[C@H]3CC[C@H](N)CC3)nn3ccnc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.51
SYK P43405 1/20 0.43
CDK2 P24941 4/20 0.42
FLT3 P36888 2/20 0.42
CCNE1 P24864 2/20 0.42
MAPK8 P45983 1/20 0.38
CDK1 P06493 1/20 0.37
MAPT P10636 1/20 0.36
CHEK2 O96017 1/20 0.36
PDGFRA P16234 2/20 0.35
MAPK6 Q16659 1/20 0.35

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
SCHEMBL13213670 0.90 MAPKAPK2 (0.58) MAPKAPK2SYKCDK2FLT3CCNE1
SCHEMBL13213485 0.90 MAPKAPK2 (0.58) MAPKAPK2SYKCDK2FLT3CCNE1
SCHEMBL13213636 0.90 MAPKAPK2 (0.52) MAPKAPK2SYKCDK2FLT3CCNE1
SCHEMBL5461020 0.88 MAPK8 (0.45) MAPKAPK2CDK2FLT3CCNE1MAPK8
SCHEMBL13213696 0.86 MAPKAPK2 (0.49) MAPKAPK2SYKCDK2FLT3CCNE1
SCHEMBL3010067 0.83 MAPKAPK2 (0.49) MAPKAPK2SYKCDK2FLT3CCNE1
SCHEMBL9004566 0.82 MAPKAPK2 (0.52) MAPKAPK2SYKCDK2FLT3CCNE1
SCHEMBL15425297 0.82 MAPKAPK2 (0.52) MAPKAPK2SYKCDK2FLT3CCNE1
SCHEMBL12012863 0.80 CCNE1 (0.64) MAPKAPK2CDK2FLT3CCNE1
SCHEMBL3021787 0.79 MAPKAPK2 (0.43) MAPKAPK2SYKCDK2FLT3CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 MAPKAPK2 23/4885SYK 781/4885CDK2 40/4885

“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.