SCHEMBL3060768

SCHEMBL3060768

CC(C)(C)OC(=O)N1CCC=C(c2c[nH]c3ncccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.46
CHEK1 O14757 3/20 0.43
MAP4K4 O95819 3/20 0.43
PIM1 P11309 3/20 0.43
PRKACA P17612 3/20 0.43
CLK2 P49760 3/20 0.43
GSK3B P49841 3/20 0.43
CDK5 Q00535 3/20 0.43
PRKAA1 Q13131 3/20 0.43
ROCK1 Q13464 3/20 0.43
DYRK1A Q13627 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
MAPK1 P28482 3/20 0.43
CDK1 P06493 3/20 0.43
CDK2 P24941 3/20 0.43
FLT3 P36888 3/20 0.43
CHEK2 O96017 2/20 0.43
PRKCG P05129 2/20 0.43
FGFR1 P11362 2/20 0.43
RPS6KB1 P23443 2/20 0.43

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
SCHEMBL1816384 0.90 CHEK1 (0.48) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL27791670 0.84 CDK2 (0.49) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL30548009 0.84 DTYMK (0.41) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL2267096 0.84 CHEK1 (0.58) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL25422396 0.84 DTYMK (0.41) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL27201485 0.83 MAPK1 (0.44) DGAT2MAPK1POLB
SCHEMBL30509702 0.82 CAMKK2 (0.39) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL25430162 0.82 CAMKK2 (0.39) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL19972495 0.82 DGAT2 (0.50) DGAT2GSK3BDYRK1AMAPK1HTR2A
SCHEMBL30861910 0.82 DGAT2 (0.50) DGAT2GSK3BDYRK1AMAPK1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470849-B2 7-azaindole derivatives as selective 11-β-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
EP-2247589-B1 7-AZAINDOLE DERIVATIVES AS SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS MERCK PATENT GMBH (DE) 2012-11-21 EP disclosed
US-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors MERCK PATENT GESELLSCHAFT 2010-10-21 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 (1 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-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors HSD11B1, HSD17B1, HSD11B2 DGAT2 968/4885CHEK1 3130/4885MAP4K4 2482/4885

“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.