SCHEMBL16991981

SCHEMBL16991981

COc1cc([C@@H]2CN(C(=O)O)CCO2)ccc1C(=O)CC#N

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.39
▸ USP30 Q70CQ3 2/20 0.38
▸ KCNJ1 P48048 8/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ CHEK1 O14757 3/20 0.35
▸ QDPR P09417 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
SCHEMBL17002545 0.88 PDE4B (0.46) PDE2AUSP30PDE4B
SCHEMBL16992189 0.83 PDE2A (0.42) PDE2AUSP30DRD3PDE4BQDPR
SCHEMBL18300898 0.82 QDPR (0.50) PDE4BQDPR
SCHEMBL15109792 0.80 USP30 (0.45) PDE2AUSP30DRD3
SCHEMBL16992525 0.79 PDE4B (0.37) PDE4BCHEK1QDPR
SCHEMBL16992301 0.76 QDPR (0.56) PDE4BCHEK1QDPR
SCHEMBL18300997 0.74 CHEK1 (0.37) PDE4BCHEK1QDPR
SCHEMBL16991924 0.74 NAAA (0.38) CHEK1
SCHEMBL18300854 0.73 CTSK (0.48) —
SCHEMBL16992328 0.72 OXTR (0.42) PDE4B

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 PDE2A 988/4885USP30 2751/4885KCNJ1 753/4885
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE2A 988/4885USP30 2751/4885KCNJ1 753/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 PDE2A 988/4885USP30 2751/4885KCNJ1 753/4885
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE2A 988/4885USP30 2751/4885KCNJ1 753/4885
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE2A 988/4885USP30 2751/4885KCNJ1 753/4885
US-10973817-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 PDE2A 988/4885USP30 2751/4885KCNJ1 753/4885

“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.

Send feedback