SCHEMBL4985209

SCHEMBL4985209

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.56
PRKCA P17252 4/20 0.49
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
KDR P35968 2/20 0.46
PLK4 O00444 1/20 0.46
NUAK1 O60285 1/20 0.46
SRC P12931 1/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46
TEK Q02763 1/20 0.46
CDK2 P24941 2/20 0.43
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CCNA2 P20248 1/20 0.41

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
SCHEMBL4984745 0.89 GSK3B (0.70) GSK3BPRKCAKDRCDK2CCNE2
SCHEMBL4991291 0.86 GSK3B (0.46) GSK3BPRKCACCNT1CDK9CDK2
SCHEMBL4994634 0.86 GSK3B (0.46) GSK3BPRKCACCNT1CDK9CDK2
SCHEMBL4988608 0.85 CCNT1 (0.52) GSK3BPRKCACCNT1CDK9CDK2
SCHEMBL4990655 0.83 GSK3B (0.44) GSK3BPRKCACCNT1CDK9SRC
SCHEMBL5255607 0.82 GSK3B (0.52) GSK3B
SCHEMBL7195024 0.76 CCNT1 (0.76) GSK3BPRKCACCNT1CDK9CDK2
SCHEMBL5256402 0.76 GSK3B (0.65) GSK3BPRKCACCNT1CDK9KDR
SCHEMBL5257465 0.76 GSK3B (0.75) GSK3BPRKCAKDRFLT3
SCHEMBL5255284 0.76 GSK3B (0.77) GSK3BPRKCAKDRFLT3

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 44/4885CCNT1 463/4885

“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.