SCHEMBL20602018

SCHEMBL20602018

Clc1ncccc1-c1cn[c]o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.36
RAB9A P51151 6/20 0.36
MAPT P10636 4/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
S100A4 P26447 1/20 0.33
CDC25B P30305 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL2576181 0.70 NPC1 (0.38) NPC1RAB9AMAPTPKMMEN1
SCHEMBL20602593 0.70 NOTUM (0.46) NPC1RAB9AMAPTPKMMEN1
SCHEMBL9956189 0.69 NOTUM (0.38) NPC1RAB9APKMMEN1KMT2A
SCHEMBL27761013 0.68 NPC1 (0.50) NPC1RAB9AMAPTPKMMEN1
SCHEMBL20625569 0.66 NOTUM (0.54) NPC1RAB9AMAPTPKMMEN1
SCHEMBL20624852 0.66 KDM4E (0.37) NPC1RAB9AMAPTPKMMEN1
SCHEMBL4569991 0.66 CYP2A6 (0.52) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL500105 0.66 ALDH1A1 (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL14976261 0.64 NPC1 (0.41) NPC1RAB9AMAPTPKMMEN1
SCHEMBL20821415 0.63 DPP4 (0.50) NPC1RAB9AMAPTPKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NPC1 4085/4885RAB9A 3886/4885MAPT 876/4885
US-10981902-B2 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM3 NPC1 4085/4885RAB9A 3886/4885MAPT 876/4885

“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.