SCHEMBL4984745

SCHEMBL4984745

COc1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2occc2c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.70
PRKCA P17252 4/20 0.64
CDK2 P24941 2/20 0.59
CCNE2 O96020 1/20 0.59
CDK4 P11802 1/20 0.59
CCND1 P24385 1/20 0.59
CCNE1 P24864 1/20 0.59
KDR P35968 1/20 0.56

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
SCHEMBL4985209 0.89 GSK3B (0.56) GSK3BPRKCACDK2CCNE2CDK4
SCHEMBL5257465 0.87 GSK3B (0.75) GSK3BPRKCAKDR
SCHEMBL5256402 0.87 GSK3B (0.65) GSK3BPRKCACDK2CCNE2CDK4
SCHEMBL5255284 0.87 GSK3B (0.77) GSK3BPRKCAKDR
SCHEMBL5257432 0.87 GSK3B (0.77) GSK3BPRKCAKDR
SCHEMBL5257591 0.85 GSK3B (0.63) GSK3BPRKCACDK2CCNE2CDK4
SCHEMBL5254901 0.85 CDK2 (0.62) GSK3BPRKCACDK2CCNE2CDK4
SCHEMBL4991182 0.85 GSK3B (0.75) GSK3BKDR
SCHEMBL4992178 0.85 GSK3B (0.75) GSK3BPRKCACDK4CCND1KDR
SCHEMBL5258462 0.85 GSK3B (0.75) GSK3BPRKCACDK2CCNE2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 US disclosed
CN-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 CN disclosed
EP-1487822-A2 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-22 EP disclosed
WO-2003076398-A2 PYRROLE-2, 5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 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-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 GSK3B 205/4885PRKCA 44/4885CDK2 28/4885

“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.