SCHEMBL3065669

SCHEMBL3065669

CC(C)(C)OC(=O)N1C=C(c2c[nH]c3ncccc23)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.44
CAMKK2 Q96RR4 2/20 0.44
HSD11B1 P28845 3/20 0.42
CDK2 P24941 5/20 0.42
MAP4K4 O95819 4/20 0.42
PRKACA P17612 4/20 0.42
CLK2 P49760 4/20 0.42
CDK5 Q00535 4/20 0.42
DYRK1A Q13627 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
CHEK1 O14757 3/20 0.42
PIM1 P11309 3/20 0.42
GSK3B P49841 3/20 0.42
PRKAA1 Q13131 3/20 0.42
ROCK1 Q13464 3/20 0.42
RPS6KA3 P51812 3/20 0.42
PKN2 Q16513 3/20 0.42
HIPK2 Q9H2X6 3/20 0.42
STK17A Q9UEE5 3/20 0.42
MAP4K5 Q9Y4K4 3/20 0.42

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
SCHEMBL1814619 0.94 CDK2 (0.45) CAMKK2HSD11B1CDK2MAP4K4PRKACA
SCHEMBL27812992 0.85 CAMKK2 (0.52) BTKCAMKK2HSD11B1CDK2MAP4K4
SCHEMBL19972596 0.82 BTK (0.43) BTKCDK2DYRK1AGSK3BFLT3
SCHEMBL31001676 0.82 BTK (0.43) BTKCDK2DYRK1AGSK3BFLT3
SCHEMBL16151321 0.82 BTK (0.45) BTKMAPK1JAK3
SCHEMBL2267096 0.80 CHEK1 (0.58) CDK2MAP4K4PRKACACLK2CDK5
SCHEMBL12836724 0.80 SGK1 (0.46) BTKCAMKK2CDK2CLK2CDK5
SCHEMBL2489179 0.79 BTK (0.46) BTK
SCHEMBL20111756 0.79 HTR2A (0.46) CAMKK2HSD11B1CDK2MAP4K4PRKACA
SCHEMBL3060768 0.78 DGAT2 (0.46) CAMKK2HSD11B1CDK2MAP4K4PRKACA

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 BTK 4554/4885CAMKK2 2990/4885HSD11B1 1/4885

“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.