SCHEMBL20599530

SCHEMBL20599530

FC(F)(F)CCc1ncc(-c2cccnc2Cl)o1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.33
NOTUM Q6P988 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
NPC1 O15118 3/20 0.31
MAPT P10636 3/20 0.31
RAB9A P51151 3/20 0.31
PKM P14618 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
SCHEMBL20601755 0.81 RXRA (0.41) METAP2RXRARXRBRXRG
SCHEMBL20602082 0.81 NOTUM (0.32) NOTUMRXRARXRBRXRG
SCHEMBL30240964 0.81 RXRA (0.41) METAP2RXRARXRBRXRG
SCHEMBL30241030 0.81 NOTUM (0.32) NOTUMRXRARXRBRXRG
SCHEMBL20624852 0.79 KDM4E (0.37) NOTUMNPC1MAPTRAB9APKM
SCHEMBL20625569 0.79 NOTUM (0.54) NOTUMRXRARXRBRXRGNPC1
SCHEMBL20599382 0.77 NOTUM (0.30) NOTUM
SCHEMBL20602570 0.76
SCHEMBL20602007 0.74 RXRA (0.41) RXRARXRBRXRGMAPT
SCHEMBL20599371 0.72 NOTUM (0.30) NOTUM

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 METAP2 1550/4885NOTUM 1062/4885RXRA 393/4885
US-10981902-B2 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM3 METAP2 1550/4885NOTUM 1062/4885RXRA 393/4885

“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.