SCHEMBL16992003

SCHEMBL16992003

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
GPR119 Q8TDV5 4/20 0.44
STS P08842 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK14 Q16539 1/20 0.42
TGFBR1 P36897 1/20 0.42
NSD2 O96028 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
YAP1 P46937 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL18310148 0.86 CYP2C9 (0.47) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL16992177 0.85 STS (0.47) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL30606462 0.84 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL16992048 0.84 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL17002531 0.84 PDE4B (0.44) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL17002534 0.83 HCRTR1 (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL16992044 0.83 GPR119 (0.55) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL30606474 0.82 STS (0.42) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL16992186 0.82 STS (0.42) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL30606454 0.80 LMNA (0.47) GPR119ALDH1A1MAPT

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 15 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
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 PDE4A 656/4885PDE4B 508/4885PDE4C 575/4885
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE4A 656/4885PDE4B 508/4885PDE4C 575/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 PDE4A 656/4885PDE4B 508/4885PDE4C 575/4885
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE4A 656/4885PDE4B 508/4885PDE4C 575/4885
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE4A 656/4885PDE4B 508/4885PDE4C 575/4885
US-10973817-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 PDE4A 656/4885PDE4B 508/4885PDE4C 575/4885

“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.