SCHEMBL16992109

SCHEMBL16992109

COc1cc(CN(C(=O)OC(C)(C)C)C2CCOCC2)ccc1-c1cc(N)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.45
NR1H4 Q96RI1 1/20 0.40
HSD17B10 Q99714 1/20 0.39
REN P00797 3/20 0.36
HTR2A P28223 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL18300974 0.89 CHEK1 (0.47) CHEK1HSD17B10RENGAA
SCHEMBL16991883 0.80 CHEK1 (0.75) CHEK1
SCHEMBL31682521 0.77 NR1H4 (0.43) NR1H4RENHTR2A
SCHEMBL16992034 0.77 NR1H4 (0.43) NR1H4RENHTR2A
SCHEMBL25609126 0.74 HTR2A (0.46) NR1H4HTR2AGAA
SCHEMBL23219524 0.74 NR1H4 (0.40) CHEK1NR1H4RENHTR2A
SCHEMBL16992054 0.74 NR1H4 (0.40) CHEK1NR1H4RENHTR2A
SCHEMBL30606467 0.74 NR1H4 (0.40) CHEK1NR1H4RENHTR2A
SCHEMBL16992166 0.73 MEN1 (0.46) CHEK1HSD17B10
SCHEMBL19268802 0.71 AAK1 (0.40) NR1H4GAA

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 17 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-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
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
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS SEATTLE GENETICS, INC. 2016-12-15 US 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 CHEK1 110/4885NR1H4 930/4885HSD17B10 1931/4885
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 CHEK1 110/4885NR1H4 930/4885HSD17B10 1931/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 CHEK1 110/4885NR1H4 930/4885HSD17B10 1931/4885
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 CHEK1 110/4885NR1H4 930/4885HSD17B10 1931/4885
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 CHEK1 110/4885NR1H4 930/4885HSD17B10 1931/4885
US-10973817-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 CHEK1 110/4885NR1H4 930/4885HSD17B10 1931/4885

“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.