SCHEMBL20602014

SCHEMBL20602014

CCC(O)c1ccc(C#N)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
PGR P06401 1/20 0.33
SOS2 Q07890 1/20 0.33
GRM2 Q14416 1/20 0.32
LMNA P02545 1/20 0.32
NQO1 P15559 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 2/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL8550099 0.78 PDE2A (0.38) PDE2ALMNARECQL
SCHEMBL22135837 0.78 CAMKK2 (0.35) SOS2LMNANQO1EGLN2
SCHEMBL25053869 0.75 PDE2A (0.42) PDE2ALMNARECQL
SCHEMBL12377890 0.70 ALDH1A1 (0.35) SOS2NQO1EGLN2
SCHEMBL27805732 0.69 MAPT (0.33) PDE2ALMNASMN1; SMN2
SCHEMBL4706130 0.68 LMNA (0.33) PDE2ALMNASMN1; SMN2RECQL
SCHEMBL20599383 0.68 HSP90AB1 (0.38) PGRSOS2LMNANQO1SMN1; SMN2
SCHEMBL16372364 0.67 SOS2 (0.48) SOS2NQO1EGLN2
SCHEMBL2291603 0.67 ALDH1A1 (0.44) SOS2NQO1EGLN2
SCHEMBL23133407 0.67 IDH1 (0.34) NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3644990-B1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2022-11-30 EP disclosed
US-10981902-B2 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2021-04-20 US disclosed
US-10981902-B2 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2021-04-20 US disclosed
EP-3644990-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2020-05-06 EP disclosed
US-20200109137-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-04-09 US disclosed
US-20200109137-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-04-09 US disclosed
WO-2019000238-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019005589-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019005589-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 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 (2 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-20200109137-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM3 PDE2A 806/4885PGR 1670/4885SOS2 4478/4885
US-10981902-B2 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM3 PDE2A 806/4885PGR 1670/4885SOS2 4478/4885

“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.