SCHEMBL6326149

SCHEMBL6326149

COC(=O)C(=O)c1cn2c3c(cccc13)CC(CO)CC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
HTR2C P28335 4/20 0.39
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL6324878 0.90 CDK4 (0.37) PARP1HTR2CMTNR1AMTNR1BCCNE2
SCHEMBL6327649 0.82 CDK4 (0.36) PARP1MTNR1AMTNR1BCDK4CCND1
SCHEMBL2344849 0.81 PARP1 (0.44) PARP1HTR2CMTNR1AMTNR1B
SCHEMBL6328642 0.80 PARP1 (0.37) PARP1MTNR1AMTNR1BCDK4CCND1
SCHEMBL1719811 0.79 MTNR1A (0.51) PARP1HTR2CMTNR1AMTNR1B
SCHEMBL5768646 0.78 MTNR1A (0.47) PARP1HTR2CMTNR1AMTNR1B
SCHEMBL10123732 0.77 PARP1 (0.41) PARP1HTR2C
SCHEMBL13056761 0.77 PARP1 (0.41) PARP1MTNR1AMTNR1B
SCHEMBL10123738 0.76 PARP1 (0.41) PARP1HTR2C
SCHEMBL6326991 0.76 FKBP1A (0.33) PARP1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894116-B2 S,S′-bis-(α, α′—disubstituted—α″—acetic acid)—trithiocarbonates and polymers thereof for toughening thermosetting resins NOVEON IP HOLDINGS CORP. (US) 2005-05-17 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-20030187138-A1 S,s' -bis-(alpha, alpha' - disubstituted - alpha\" - acetic acid) - trithiocarbonates and polymers thereof for toughening thermosetting resins LUBRIZOL ADVANCED MATERIALS, INC. 2003-10-02 US disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 US disclosed
EP-1242420-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001044247-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed
US-5280068-A Containing carboxy, amine, or epoxy terminated polymer THE B.F. GOODRICH COMPANY (US) 1994-01-18 US disclosed
EP-0526575-A1 EPOXY RESIN SYSTEMS MODIFIED WITH LOW VISCOSITY STATISTICAL MONOFUNCTIONAL REACTIVE POLYMERS THE B.F. GOODRICH COMPANY (US) 1993-02-10 EP disclosed
US-5157077-A Carboxyl, amine or epoxy-terminated reactive polymers THE B. F. GOODRICH COMPANY (US) 1992-10-20 US disclosed
US-5140068-A Toughness, adhesion, elongation THE B. F. GOODRICH COMPANY (US) 1992-08-18 US disclosed
WO-1991017213-A1 EPOXY RESIN SYSTEMS MODIFIED WITH LOW VISCOSITY STATISTICAL MONOFUNCTIONAL REACTIVE POLYMERS THE B.F. GOODRICH COMPANY (US) 1991-11-14 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 PARP1 579/4885HTR2C 4329/4885MTNR1A 1002/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 PARP1 516/4885HTR2C 4346/4885MTNR1A 904/4885

“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.