SCHEMBL6325324

SCHEMBL6325324

COC(=O)C(COC(C)(C)C)NCc1cccc2cc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
BCHE P06276 3/20 0.38
ANO1 Q5XXA6 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BACE1 P56817 2/20 0.36
MAPK1 P28482 1/20 0.35
KEAP1 Q14145 1/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34

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
SCHEMBL6325298 1.00 MAPK8 (0.41) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL7539072 0.81 KDM4E (0.40) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL6328785 0.81 HTR2A (0.38) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL31649472 0.76 TACR1 (0.49) MAPK8MAPK9MAPK10
SCHEMBL2490265 0.73 ATM (0.50) ITGA4ITGB7ALDH1A1
SCHEMBL2490263 0.73 ATM (0.50) ITGA4ITGB7ALDH1A1
SCHEMBL27811946 0.72 KDM4A (0.47) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL6334183 0.71 MAPK1 (0.38) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL14256041 0.71 AHR (0.42) HTR2AHTR2CBCHEKEAP1NR3C1
SCHEMBL6326965 0.70 BCHE (0.39) MAPK8MAPK9MAPK10BCHEANO1

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 9 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
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 MAPK8 249/4885MAPK9 277/4885MAPK10 247/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 MAPK8 194/4885MAPK9 205/4885MAPK10 173/4885

“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.