SCHEMBL6325314

SCHEMBL6325314

COC(=O)C(=O)c1cn2c3c(cccc13)CCC2CO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.42
CDK4 P11802 3/20 0.37
CCND1 P24385 3/20 0.37
CCNE2 O96020 2/20 0.36
PRKACA P17612 2/20 0.36
PRKACG P22612 2/20 0.36
PRKACB P22694 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 5/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
PRPS1 P60891 1/20 0.32

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
SCHEMBL6334232 0.85 KDM4E (0.44) CNR1KDM4EMEN1KMT2ACNR2
SCHEMBL6327389 0.83 CNR1 (0.37) CNR1CNR2
SCHEMBL6327392 0.74 CNR1 (0.35) CNR1
SCHEMBL2344849 0.74 PARP1 (0.44) KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL6326149 0.74 PARP1 (0.39) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6324878 0.73 CDK4 (0.37) CNR1CDK4CCND1CCNE2PRKACA
SCHEMBL1719811 0.72 MTNR1A (0.51) KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL5768646 0.71 MTNR1A (0.47) KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL6325824 0.71 MTNR1A (0.35) CNR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL11741159 0.70 KDM4E (0.48) CNR1KDM4EALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
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-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 US disclosed
EP-1250334-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
EP-1242420-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001044235-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed
WO-2001044247-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 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 (2 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 CNR1 2410/4885CDK4 3/4885CCND1 116/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 CNR1 2444/4885CDK4 5/4885CCND1 70/4885

“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.