SCHEMBL20599367

SCHEMBL20599367

C=C(OCC)c1cccnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
EGFR P00533 1/20 0.43
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.41
AGTR1 P30556 1/20 0.41

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
SCHEMBL20624860 0.87 LMNA (0.45) CYP2C19LMNASMN1; SMN2POLBL3MBTL1
SCHEMBL31540721 0.80 NAPRT (0.47) CYP2C19LMNAPOLBL3MBTL1CYP1A2
SCHEMBL49913 0.80 POLB (0.66) CYP2C19LMNASMN1; SMN2POLBL3MBTL1
SCHEMBL8296523 0.80 NAPRT (0.47) CYP2C19SMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL15215855 0.80 CYP2C19 (0.49) CYP2C19LMNASMN1; SMN2POLBL3MBTL1
Hydrochloric Acid SCHEMBL3584951 0.79 POLB (0.64) CYP2C19LMNASMN1; SMN2POLBL3MBTL1
SCHEMBL845907 0.77 KDM4E (0.35) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL12158504 0.76 BRD4 (0.56) L3MBTL1CYP1A2ALDH1A1MAPK1HTT
SCHEMBL16202157 0.76 SMN1; SMN2 (0.59) CYP2C19LMNASMN1; SMN2POLBL3MBTL1
SCHEMBL22580768 0.75 TSHR (0.47) LMNAALDH1A1

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-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
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

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 CYP2C19 1450/4885LMNA 4465/4885SMN1; SMN2 2097/4885
US-10981902-B2 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM3 CYP2C19 1450/4885LMNA 4465/4885SMN1; SMN2 2097/4885

“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.