SCHEMBL16992525

SCHEMBL16992525

COc1cc(C2CCN(C(=O)O)CC2F)ccc1C(=O)CC#N

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 14/20 0.37
▸ APP P05067 1/20 0.37
▸ CHEK1 O14757 2/20 0.36
▸ QDPR P09417 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 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
SCHEMBL16991888 0.88 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL30606453 0.88 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL18300898 0.83 QDPR (0.50) PDE4BQDPRPDE4APDE4CPDE4D
SCHEMBL16992208 0.83 PDE4B (0.40) PDE4BAPPQDPRPDE4APDE4C
SCHEMBL18300997 0.80 CHEK1 (0.37) PDE4BCHEK1QDPRHSD11B1PDE4A
SCHEMBL16991981 0.79 PDE2A (0.39) PDE4BCHEK1QDPR
SCHEMBL16874779 0.78 KDM1A (0.48) PDE4BAPPQDPRPDE4APDE4C
SCHEMBL16991924 0.77 NAAA (0.38) CHEK1
SCHEMBL16992328 0.76 OXTR (0.42) PDE4BHSD11B1PDE4APDE4CPDE4D
SCHEMBL22828895 0.75 CHRM5 (0.38) —

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
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
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
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

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 PDE4B 508/4885APP 3958/4885CHEK1 110/4885
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE4B 508/4885APP 3958/4885CHEK1 110/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 PDE4B 508/4885APP 3958/4885CHEK1 110/4885
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE4B 508/4885APP 3958/4885CHEK1 110/4885
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE4B 508/4885APP 3958/4885CHEK1 110/4885
US-10973817-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 PDE4B 508/4885APP 3958/4885CHEK1 110/4885

“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.

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