SCHEMBL21048252

SCHEMBL21048252

Cc1ncnc(S)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.37
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 3/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL30751788 0.84 PIK3CG (0.38) PIK3CGLRRK2KDM4ERECQLDYRK1A
SCHEMBL6719246 0.74 PIK3CG (0.33) PIK3CGLRRK2KDM4EDYRK1A
SCHEMBL1109104 0.74 KDM4E (0.39) PIK3CGLRRK2KDM4EDYRK1A
SCHEMBL12186825 0.74 LRRK2 (0.47) LRRK2KDM4EDYRK1A
SCHEMBL13064505 0.71 MAPK1 (0.41) KDM4E
SCHEMBL19006255 0.71 ALDH1A1 (0.41) LRRK2KDM4ETDP1
SCHEMBL13020443 0.71 KDM4E (0.32) PIK3CGLRRK2KDM4E
SCHEMBL15691412 0.71 RECQL (0.44) KDM4ERECQL
SCHEMBL15691392 0.69 RECQL (0.33) PIK3CGLRRK2RECQL
SCHEMBL1721807 0.68 PSMD14 (0.40) PIK3CGKDM4ERECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720860-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2020-10-14 EP disclosed
US-10736898-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2020-08-11 US disclosed
CN-111433212-A Positive allosteric modulators of muscarinic acetylcholine receptor M4 范德比尔特大学 2020-07-17 CN disclosed
WO-2019113179-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2019-06-13 WO disclosed
US-20190167688-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-06-06 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-10736898-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 PIK3CG 306/4885LRRK2 743/4885KDM4E 862/4885
US-20190167688-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 PIK3CG 306/4885LRRK2 743/4885KDM4E 862/4885

“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.