SCHEMBL5765711

SCHEMBL5765711

COC(=O)C(=O)c1cn2c3c(c(F)ccc13)CCC2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
CPS1 P31327 1/20 0.30
NOTUM Q6P988 1/20 0.30
MAPT P10636 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6334216 0.85 BCL2 (0.38) PARP1MTNR1AMTNR1BMAPT
SCHEMBL9559759 0.82 FABP3 (0.38) PARP1
SCHEMBL1719811 0.80 MTNR1A (0.51) PARP1MTNR1AMTNR1B
SCHEMBL5796602 0.78 KDM4E (0.39) MTNR1AMTNR1B
SCHEMBL5768646 0.76 MTNR1A (0.47) PARP1MTNR1AMTNR1B
SCHEMBL5768746 0.75 MTNR1A (0.35) MTNR1AMTNR1BMAPT
SCHEMBL2344849 0.74 PARP1 (0.44) PARP1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL6326976 0.72 ACHE (0.44) MTNR1AMTNR1BMAPT
SCHEMBL5768891 0.70 MTNR1A (0.35) MTNR1AMTNR1BNOTUMMAPT
SCHEMBL6325566 0.68 MCL1 (0.43) PARP1NOTUMMAPT

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 6 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

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 579/4885MTNR1A 1002/4885MTNR1B 1120/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 PARP1 516/4885MTNR1A 904/4885MTNR1B 1009/4885

“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.