SCHEMBL20155066

SCHEMBL20155066

Cn1cc2c(Br)cn(C)c(=O)c2n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 12/20 0.34
BRD4 O60885 3/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL30975393 0.90
SCHEMBL20155003 0.87 BRD4 (0.36) MAT2ABRD4ADORA2AADORA1NPSR1
SCHEMBL20154927 0.80 MAT2A (0.40) MAT2A
SCHEMBL20155093 0.80 MAT2A (0.36) MAT2ABRD4ADORA2AADORA1
SCHEMBL29303307 0.75 MAT2A (0.33) MAT2ABRD4ADORA2AADORA1
SCHEMBL20155133 0.73 ADORA2A (0.37) ADORA2A
SCHEMBL20155470 0.70 BRD4 (0.35) MAT2ABRD4ADORA2AADORA1
SCHEMBL19869860 0.70 BRD4 (0.49) BRD4
SCHEMBL21224811 0.69 BRD4 (0.37) BRD4
SCHEMBL21224338 0.69 BRD4 (0.36) BRD4

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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
WO-2018086604-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 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 (1 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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 MAT2A 1284/4885BRD4 331/4885ADORA2A 95/4885

“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.