SCHEMBL6334183

SCHEMBL6334183

CC(C)(C)OC(=O)CCC(CO)NCc1cccc2cc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
BCHE P06276 3/20 0.36
ANO1 Q5XXA6 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
BACE1 P56817 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
KEAP1 Q14145 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
PDPK1 O15530 1/20 0.32
BRD4 O60885 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
SCHEMBL6849366 0.83 KEAP1 (0.40) MAPK1MAPK8MAPK9MAPK10ADORA2A
SCHEMBL6328785 0.80 HTR2A (0.38) MAPK1MAPK8MAPK9MAPK10ADORA2A
SCHEMBL31635826 0.77 CTSS (0.43) MAPK8MAPK9MAPK10BCHEBACE1
SCHEMBL27811946 0.75 KDM4A (0.47) MAPK1MAPK8MAPK9MAPK10ADORA2A
SCHEMBL2262619 0.72 MAPK1 (0.46) MAPK1MAPK8MAPK9MAPK10ADORA2A
SCHEMBL6325298 0.71 MAPK8 (0.41) MAPK1MAPK8MAPK9MAPK10ADORA2A
SCHEMBL6325324 0.71 MAPK8 (0.41) MAPK1MAPK8MAPK9MAPK10ADORA2A
SCHEMBL2266178 0.70 BCHE (0.44) MAPK1MAPK8MAPK9MAPK10BCHE
SCHEMBL7539072 0.69 KDM4E (0.40) MAPK1MAPK8MAPK9MAPK10ADORA2A
SCHEMBL31649501 0.68 CTSS (0.49) BCHE

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 8 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
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 MAPK1 128/4885MAPK8 249/4885MAPK9 277/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 MAPK1 72/4885MAPK8 194/4885MAPK9 205/4885

“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.