SCHEMBL4991291

SCHEMBL4991291

CN1C(=O)C(c2cn(C)c3ccccc23)=C(c2cc(OCCO)cc3ccoc23)C1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.46
CCNT1 O60563 3/20 0.45
CDK9 P50750 3/20 0.45
PRKCA P17252 4/20 0.41
CAMK2D Q13557 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL4994634 0.91 GSK3B (0.46) GSK3BCCNT1CDK9PRKCACAMK2D
SCHEMBL4990655 0.88 GSK3B (0.44) GSK3BCCNT1CDK9PRKCASIRT2
SCHEMBL4985209 0.86 GSK3B (0.56) GSK3BCCNT1CDK9PRKCACCNA2
SCHEMBL5255607 0.86 GSK3B (0.52) GSK3B
SCHEMBL4988608 0.82 CCNT1 (0.52) GSK3BCCNT1CDK9PRKCACCNA2
SCHEMBL4987619 0.79 GSK3B (0.44) GSK3BPRKCACDK2
SCHEMBL4985394 0.78 GSK3B (0.53) GSK3B
Hydrochloric Acid SCHEMBL4986926 0.77 GSK3B (0.54) GSK3BPRKCACDK2
Hydrochloric Acid SCHEMBL5259095 0.76 GSK3B (0.63) GSK3BPRKCACAMK2DCDK2
SCHEMBL4984745 0.76 GSK3B (0.70) GSK3BPRKCACDK2

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 205/4885CCNT1 463/4885CDK9 41/4885

“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.