SCHEMBL5768646

SCHEMBL5768646

COC(=O)C(=O)c1cn2c3c(cccc13)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.47
MTNR1B P49286 7/20 0.47
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
PARP1 P09874 1/20 0.42
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1719811 0.96 MTNR1A (0.51) MTNR1AMTNR1BHTR2AHTR2CPARP1
SCHEMBL2344849 0.91 PARP1 (0.44) MTNR1AMTNR1BHTR2AHTR2CPARP1
SCHEMBL13056761 0.81 PARP1 (0.41) MTNR1AMTNR1BPARP1KDM4EUSP2
SCHEMBL2261530 0.81 HTR2A (0.48) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL3054307 0.80 HTR2A (0.50) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL5768428 0.79 BACE1 (0.40) ALDH1A1
SCHEMBL2260099 0.79 HTR2A (0.52) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL2259815 0.79 MTNR1A (0.50) MTNR1AMTNR1BHTR2AHTR2CKDM4E
SCHEMBL2020434 0.79 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR2CPARP1
SCHEMBL6326149 0.78 PARP1 (0.39) MTNR1AMTNR1BHTR2CPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 EP 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-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 MTNR1A 1002/4885MTNR1B 1120/4885HTR2A 4207/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 MTNR1A 904/4885MTNR1B 1009/4885HTR2A 4336/4885

“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.