SCHEMBL4468997

SCHEMBL4468997

CC(C)(C)OC(=O)n1c(=O)c2cc(N)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
HTR6 P50406 1/20 0.37
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA1 P14867 2/20 0.35
BRPF1 P55201 2/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3A P49840 1/20 0.33

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
SCHEMBL16137851 0.78 NR1H2 (0.42) NR1H2HTR6GABRG2GABRB3GABRA5
SCHEMBL8170409 0.75 NR1H2 (0.42) NR1H2HTR6GABRG2GABRB3GABRA5
SCHEMBL28942631 0.75 HTR6 (0.46) NR1H2HTR6GABRG2GABRB3GABRA5
SCHEMBL3514381 0.74 MAP2K4 (0.43) NR1H2HTR6GABRG2GABRB3GABRA5
SCHEMBL6483062 0.73 CHRM2 (0.49) NR1H2HTR6GABRG2GABRB3GABRA5
SCHEMBL660243 0.73 MAP2K4 (0.45) NR1H2HTR6GABRG2GABRB3GABRA5
SCHEMBL16455338 0.73 HTR6 (0.44) NR1H2HTR6L3MBTL1HSP90AA1HSP90AB1
SCHEMBL24148156 0.72 CDK1 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL3517327 0.72 MAP2K4 (0.44) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL13391019 0.70 LMNA (0.48) NR1H2GABRG2GABRB3GABRA5BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
EP-1778669-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-05-02 EP disclosed
WO-2006023931-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-03-02 WO disclosed
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 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-20060041137-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K1 NR1H2 3538/4885HTR6 3051/4885GABRG2 2449/4885

“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.