SCHEMBL6806993

SCHEMBL6806993

CC(C)(C)OC(=O)N1CCn2cc(C3=C(c4cn5c6c(cccc46)CCC5)C(=O)NC3=O)c3cccc(c32)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.58
GSK3A P49840 19/20 0.58
PRKCB P05771 3/20 0.56
CDK4 P11802 3/20 0.56
CDK2 P24941 3/20 0.56
PDK1 Q15118 2/20 0.56
TGFBR2 P37173 1/20 0.52
CAMK2B Q13554 1/20 0.52
CAMK2G Q13555 1/20 0.52
CAMK2D Q13557 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52

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
SCHEMBL6803325 0.88 GSK3B (0.54) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6799174 0.86 GSK3B (0.54) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6801053 0.86 GSK3B (0.56) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6848405 0.85 GSK3B (0.50) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6802571 0.82 GSK3B (0.51) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6326123 0.78 GSK3B (0.51) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL5764340 0.77 GSK3B (0.73) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL3050216 0.76 LIPG (0.51) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL1395873 0.76 GSK3B (0.52) GSK3BGSK3APRKCB
SCHEMBL6329398 0.75 CDK4 (0.44) GSK3BGSK3APRKCBCDK4CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP claimed
US-6743785-B2 KINASE INHIBITORS; ANNULATED PYRROLE AND INDOLE RINGS; PYRROLO (3,2,1-HI)INDOLES; 3-(5,5-DIMETHYL-5,6-DIHYDRO-4H-PYRROLO (3,2,1-IJ)QUINOLIN-1-YL)-4-(1,2,3,4-TETRAHYDRO-(1,4) DIAZEPINO(6,7,1-HI)INDOL-7-YL)-PYRROLE-2,5-DIONE ELI LILLY AND COMPANY 2004-06-01 US disclosed
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 GSK3B 761/4885GSK3A 699/4885PRKCB 152/4885

“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.