SCHEMBL209280

SCHEMBL209280

COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.55
PRKAA2 P54646 8/20 0.51
PRKAB2 O43741 2/20 0.51
PRKAG1 P54619 2/20 0.51
PRKAA1 Q13131 2/20 0.51
PRKAG3 Q9UGI9 2/20 0.51
PRKAG2 Q9UGJ0 2/20 0.51
PRKAB1 Q9Y478 2/20 0.51
GPR119 Q8TDV5 4/20 0.50
RET P07949 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
TRPV6 Q9H1D0 1/20 0.47
PIK3CA P42336 8/20 0.47
VEGFA P15692 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL21608370 0.93 TBK1 (0.49) TBK1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL28644780 0.87 GHSR (0.57) TBK1GPR119RET
SCHEMBL31458848 0.87 GHSR (0.57) TBK1GPR119RET
SCHEMBL30042412 0.87 MEN1 (0.49) TBK1GPR119MEN1KMT2AATM
SCHEMBL2933302 0.87 MEN1 (0.49) TBK1GPR119MEN1KMT2AATM
SCHEMBL30520640 0.85 MEN1 (0.50) TBK1GPR119MEN1KMT2AATM
SCHEMBL12557699 0.84 KMT2A (0.69) GPR119MEN1KMT2AATMVEGFA
SCHEMBL114519 0.84 VEGFA (0.50) TBK1GPR119MEN1KMT2AATM
SCHEMBL1997213 0.84 MEN1 (0.49) TBK1GPR119MEN1KMT2AATM
SCHEMBL30584532 0.84 MEN1 (0.49) TBK1GPR119MEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527292-A RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业有限公司 2021-10-22 CN disclosed
CN-113527290-A RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业有限公司 2021-10-22 CN disclosed
CN-113527291-A RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2021-10-22 CN disclosed
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA TBK1 1046/4885PRKAA2 2352/4885PRKAB2 2156/4885

“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.