SCHEMBL21523007

SCHEMBL21523007

C/C=C/c1ncnc2c1sc1nc(C)cc(C)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 14/20 0.66
▸ CDC7 O00311 1/20 0.63
▸ PLK4 O00444 1/20 0.63
▸ IKBKB O14920 1/20 0.63
▸ AURKA O14965 1/20 0.63
▸ CHUK O15111 1/20 0.63
▸ ROCK2 O75116 1/20 0.63
▸ FYN P06241 1/20 0.63
▸ PIM1 P11309 1/20 0.63
▸ PRKACA P17612 1/20 0.63
▸ RPS6KB1 P23443 1/20 0.63
▸ CDK2 P24941 1/20 0.63
▸ MARK3 P27448 1/20 0.63
▸ AKT1 P31749 1/20 0.63
▸ FLT4 P35916 1/20 0.63
▸ KDR P35968 1/20 0.63
▸ CSNK1D P48730 1/20 0.63
▸ GSK3A P49840 1/20 0.63
▸ LIMK1 P53667 1/20 0.63
▸ PRKCD Q05655 1/20 0.63

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
SCHEMBL30137733 1.00 CHRM4 (0.66) CHRM4CDC7PLK4IKBKBAURKA
SCHEMBL21523008 0.80 CHRM4 (1.00) CHRM4CDC7PLK4IKBKBAURKA
SCHEMBL4903009 0.77 CDC7 (1.00) CHRM4CDC7PLK4IKBKBAURKA
SCHEMBL21523000 0.75 CHRM4 (0.69) CHRM4CDC7PLK4IKBKBAURKA
SCHEMBL21523001 0.73 CHRM4 (1.00) CHRM4CDC7PLK4IKBKBAURKA
SCHEMBL19741120 0.72 CHRM4 (1.00) CHRM4CDC7PLK4IKBKBAURKA
SCHEMBL19741084 0.72 CHRM4 (1.00) CHRM4CDC7PLK4IKBKBAURKA
SCHEMBL30187781 0.72 CHRM4 (1.00) CHRM4CDC7PLK4IKBKBAURKA
SCHEMBL21522994 0.71 CHRM4 (0.97) CHRM4CDC7PLK4IKBKBAURKA
SCHEMBL21522999 0.70 CHRM4 (1.00) CHRM4CDC7PLK4IKBKBAURKA

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-3558309-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2023-07-26 — — EP claimed
US-10961253-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-03-30 — — US claimed
US-20190330225-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-10-31 — — US claimed
EP-3558309-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2023-07-26 — — EP disclosed
EP-3558309-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2023-07-26 — — EP disclosed
US-10961253-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-03-30 — — US disclosed
US-10961253-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-03-30 — — US disclosed
US-20190330225-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-10-31 — — US disclosed
US-20190330225-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-10-31 — — US 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-10961253-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM2, CHRM4, CHRM5 CHRM4 2/4885CDC7 3036/4885PLK4 2209/4885
US-20190330225-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM4, CHRM5 CHRM4 2/4885CDC7 3036/4885PLK4 2209/4885

“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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