SCHEMBL20120213

SCHEMBL20120213

c1cc2c(nn1)sc1cncnc12

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.30
CLK1 P49759 1/20 0.30
LIMK1 P53667 1/20 0.30
DBF4 Q9UBU7 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
SCHEMBL2855389 0.78 CLK1 (0.51) CDC7CLK1LIMK1DBF4
SCHEMBL24623703 0.76 LIMK1 (0.39) CDC7CLK1LIMK1DBF4
SCHEMBL22483133 0.75 KDM4E (0.36) CLK1LIMK1
SCHEMBL24623622 0.75 KDM4E (0.36) LIMK1
SCHEMBL24623999 0.75 KDM4E (0.34) CLK1LIMK1
SCHEMBL24624022 0.73
SCHEMBL25662800 0.72 ALDH1A1 (0.54) CDC7LIMK1DBF4
SCHEMBL22483136 0.70 CYP2A6 (0.33) CLK1LIMK1
SCHEMBL24623620 0.70 CYP2A6 (0.35)
SCHEMBL25461054 0.69 CLK1 (0.32) CLK1LIMK1

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 disclosed
CN-109862893-B Muscarinic acetylcholine receptor M 4 Positive allosteric modulators of 范德比尔特大学 2023-02-17 CN 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
EP-3558309-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2019-10-30 EP disclosed
EP-3558309-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2019-10-30 EP disclosed
WO-2018085808-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2018-05-11 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-10961253-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM2, CHRM4, CHRM5 CDC7 3036/4885CLK1 3821/4885LIMK1 3744/4885
US-20190330225-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM4, CHRM5 CDC7 3036/4885CLK1 3821/4885LIMK1 3744/4885

“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.