SCHEMBL20030770

SCHEMBL20030770

Cn1ncc2c(Cc3ccc(-c4cscn4)cc3)cc(C#N)nc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.35
▸ PDE2A O00408 2/20 0.34
▸ PDE11A Q9HCR9 1/20 0.34
▸ CARM1 Q86X55 3/20 0.32
▸ PRMT1 Q99873 3/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ GRM2 Q14416 2/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ BCDIN3D Q7Z5W3 3/20 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
SCHEMBL19268043 0.86 CHRM1 (0.35) CHRM1PDE2APDE11ACARM1PRMT1
SCHEMBL20030878 0.85 CHRM1 (0.39) CHRM1
SCHEMBL20030906 0.81 CHRM1 (0.42) CHRM1PDE2APDE11A
SCHEMBL20031033 0.72 CHRM1 (0.60) CHRM1PDE2APDE11A
SCHEMBL19260906 0.69 CHRM1 (0.42) CHRM1PDE2APDE11APDE10A
SCHEMBL20030771 0.66 MEN1 (0.37) PDE2AMAPK1BCDIN3D
SCHEMBL30971191 0.66 MEN1 (0.37) PDE2AMAPK1BCDIN3D
SCHEMBL20030498 0.66 CHRM1 (0.49) CHRM1PDE2APDE11A
SCHEMBL8233552 0.61 METAP2 (0.44) CARM1PRMT1PKM
SCHEMBL28302411 0.61 GAA (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130348-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2021-05-06 — — US disclosed
WO-2018063552-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2018-04-05 — — 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-20210130348-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885PDE2A 513/4885PDE11A 920/4885

“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.

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