SCHEMBL6324878

SCHEMBL6324878

COC(=O)C(=O)c1cn2c3c(cccc13)CC(CO)C2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.37
CCND1 P24385 11/20 0.37
CCNE2 O96020 4/20 0.37
CCNE1 P24864 4/20 0.37
CDK2 P24941 4/20 0.37
PARP1 P09874 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
HTR2C P28335 2/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL6327649 0.90 CDK4 (0.36) CDK4CCND1PARP1PRKACAPRKACG
SCHEMBL6326149 0.90 PARP1 (0.39) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6328642 0.86 PARP1 (0.37) CDK4CCND1PARP1CNR1CNR2
SCHEMBL6326991 0.83 FKBP1A (0.33) CDK4CCND1PARP1PRKACAPRKACG
SCHEMBL2344849 0.77 PARP1 (0.44) PARP1HTR2CMTNR1AMTNR1B
SCHEMBL1719811 0.75 MTNR1A (0.51) PARP1HTR2CMTNR1AMTNR1B
SCHEMBL6326994 0.74 PARP1 (0.31) PARP1
SCHEMBL5768646 0.74 MTNR1A (0.47) PARP1HTR2CMTNR1AMTNR1B
SCHEMBL6325233 0.73 PARP1 (0.37) PARP1CNR1CNR2MTNR1AMTNR1B
SCHEMBL13056761 0.73 PARP1 (0.41) PARP1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955791-B1 PROCESS FOR MANUFACTURING AN ORGANIC ELECTROLUMINESCENT DEVICE TORAY INDUSTRIES (JP) 2005-08-31 EP disclosed
US-6878209-B2 Organic electroluminescent device TORAY INDUSTRIES, INC. (JP) 2005-04-12 US disclosed
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-20030203100-A1 Organic electroluminescent device HIMESHIMA YOSHIO (JP) 2003-10-30 US disclosed
US-6633124-B2 Process for producing an organic electroluminescent device TORAY INDUSTRIES, INC. (JP) 2003-10-14 US disclosed
US-6592933-B2 Forming spacers having height exceeding thickness of thin film layer on substrate, and vapor-depositing deposit for patterning while shadow mask having reinforcing lines formed across its apertures is kept in contact with spacers TORAY INDUSTRIES, INC. (JP) 2003-07-15 US disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 US disclosed
US-20030011305-A1 Process for producing an organic electroluminescent device HIMESHIMA YOSHIO (JP) 2003-01-16 US disclosed
US-6469439-B2 Process for producing an organic electroluminescent device TORAY INDUSTRIES, INC. (JP) 2002-10-22 US disclosed
US-20010009689-A1 Process for producing an organic electroluminescent device HIMESHIMA YOSHIO (JP) 2001-07-26 US disclosed
US-20010004469-A1 Forming spacers having height exceeding thickness of thin film layer on substrate, and vapor-depositing deposit for patterning while shadow mask having reinforcing lines formed across its apertures is kept in contact with spacers TORAY INDUSTRIES, INC. (JP) 2001-06-21 US disclosed
EP-0955791-A1 PROCESS FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT DEVICE TORAY INDUSTRIES, INC. (JP) 1999-11-10 EP 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 CDK4 3/4885CCND1 116/4885CCNE2 161/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 CDK4 5/4885CCND1 70/4885CCNE2 117/4885

“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.