SCHEMBL4987619

SCHEMBL4987619

CCN(CC)CCOc1cc(C2=C(c3cn(C)c4ccccc34)C(=O)OC2=O)c2occc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.44
SIGMAR1 Q99720 2/20 0.42
ALK Q9UM73 3/20 0.38
LYN P07948 2/20 0.38
MAPT P10636 1/20 0.38
CHRNA7 P36544 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKCA P17252 2/20 0.37
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
SRC P12931 2/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL4990655 0.92 GSK3B (0.44) GSK3BSIGMAR1ALKLYNMAPT
Hydrochloric Acid SCHEMBL4986926 0.91 GSK3B (0.54) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL4985394 0.83 GSK3B (0.53) GSK3BSIGMAR1
SCHEMBL4994634 0.81 GSK3B (0.46) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL4991291 0.79 GSK3B (0.46) GSK3BPRKCACDK2
SCHEMBL4996272 0.77 GSK3B (0.48) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL5255607 0.75 GSK3B (0.52) GSK3B
Hydrochloric Acid SCHEMBL5253479 0.75 GSK3B (0.47) GSK3BSIGMAR1PRKCACDK2
SCHEMBL4985209 0.75 GSK3B (0.56) GSK3BPRKCACCNE2CDK4CCND1
Hydrochloric Acid SCHEMBL5259095 0.74 GSK3B (0.63) GSK3BPRKCACCNE2CDK4CCND1

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 205/4885SIGMAR1 2802/4885ALK 301/4885

“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.