SCHEMBL16992186

SCHEMBL16992186

COc1cc(N(CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC(C)(C)C)ccc1C(=O)CC#N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
GPR119 Q8TDV5 6/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TGFBR1 P36897 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SCN9A Q15858 1/20 0.38
NSD2 O96028 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL30606474 1.00 STS (0.42) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL18300900 0.93 LTC4S (0.39) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL18310139 0.87 STS (0.43) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL16992116 0.87 STS (0.45) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL30606473 0.87 STS (0.45) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL16992003 0.82 PDE4A (0.44) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL16992048 0.80 PDE4B (0.54) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL30606462 0.80 PDE4B (0.54) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL16992376 0.79 LTC4S (0.40) STSTGFBR1ALDH1A1EPHX2KDM4E
SCHEMBL16992044 0.78 GPR119 (0.55) STSPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2021-09-09 US disclosed
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2021-09-09 US disclosed
EP-3811944-A1 PHARMACEUTICAL COMPOUNDS AS CHK1 INHIBITORS Sentinel Oncology Limited (GB) 2021-04-28 EP disclosed
EP-3811944-A1 PHARMACEUTICAL COMPOUNDS AS CHK1 INHIBITORS Sentinel Oncology Limited (GB) 2021-04-28 EP disclosed
US-10973817-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2021-04-13 US disclosed
US-10973817-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2021-04-13 US disclosed
EP-3104860-B1 PHARMACEUTICAL COMPOUNDS AS CHK1 INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2020-12-30 EP disclosed
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CASCADIAN THERAPEUTICS, INC. (US) 2018-09-27 US disclosed
US-10010547-B2 Pharmaceutical compounds CASCADIAN THERAPEUTICS, INC. (US) 2018-07-03 US disclosed
US-10010547-B2 Pharmaceutical compounds CASCADIAN THERAPEUTICS, INC. (US) 2018-07-03 US disclosed
EP-3104860-A1 PHARMACEUTICAL COMPOUNDS Cascadian Therapeutics, Inc. (US) 2016-12-21 EP disclosed
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS SEATTLE GENETICS, INC. 2016-12-15 US disclosed
WO-2015120390-A1 PHARMACEUTICAL COMPOUNDS ONCOTHYREON INC. (US) 2015-08-13 WO disclosed
WO-2015120390-A1 PHARMACEUTICAL COMPOUNDS ONCOTHYREON INC. (US) 2015-08-13 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 (6 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-10010547-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 STS 4531/4885PDE4A 656/4885PDE4B 508/4885
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 STS 4531/4885PDE4A 656/4885PDE4B 508/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 STS 4531/4885PDE4A 656/4885PDE4B 508/4885
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 STS 4531/4885PDE4A 656/4885PDE4B 508/4885
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 STS 4531/4885PDE4A 656/4885PDE4B 508/4885
US-10973817-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 STS 4531/4885PDE4A 656/4885PDE4B 508/4885

“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.