SCHEMBL3019129

SCHEMBL3019129

Cc1c(N[C@H]2CC[C@@H](N)CC2)nn2ccnc2c1Nc1ccc(S(=O)(=O)N(C)C)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.45
GSK3B P49841 9/20 0.45
FLT3 P36888 6/20 0.44
CCNE1 P24864 3/20 0.44
CHEK1 O14757 4/20 0.41
CDK1 P06493 3/20 0.41
MAPK8 P45983 1/20 0.35
MAPKAPK2 P49137 3/20 0.34
CHEK2 O96017 1/20 0.34
CSNK1D P48730 1/20 0.34
CDK5 Q00535 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
KIT P10721 3/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL3019131 1.00 CDK2 (0.45) CDK2GSK3BFLT3CCNE1CHEK1
SCHEMBL3024616 1.00 CDK2 (0.45) CDK2GSK3BFLT3CCNE1CHEK1
SCHEMBL3530000 0.86 CDK2 (0.53) CDK2GSK3BFLT3CCNE1CHEK1
SCHEMBL3022717 0.86 CDK2 (0.61) CDK2GSK3BFLT3CCNE1CHEK1
SCHEMBL3526043 0.86 CDK2 (0.61) CDK2GSK3BFLT3CCNE1CHEK1
SCHEMBL3253433 0.86 CDK2 (0.61) CDK2GSK3BFLT3CCNE1CHEK1
SCHEMBL3025258 0.81 CDK2 (0.47) CDK2FLT3CCNE1CDK1MAPK8
SCHEMBL3025252 0.81 CDK2 (0.47) CDK2FLT3CCNE1CDK1MAPK8
SCHEMBL3023428 0.79 SYK (0.49) CDK2GSK3BFLT3CCNE1CHEK1
SCHEMBL3023426 0.79 SYK (0.49) CDK2GSK3BFLT3CCNE1CHEK1

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 CDK2 40/4885GSK3B 543/4885FLT3 345/4885

“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.