SCHEMBL21048253

SCHEMBL21048253

Cc1nc(=S)c(C#N)c(C)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
APOBEC3G Q9HC16 4/20 0.39
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HAVCR2 Q8TDQ0 2/20 0.37
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
POLB P06746 1/20 0.30
PTK2 Q05397 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
SCHEMBL21054650 0.77 ALDH1A1 (0.45) GAAAPOBEC3GALDH1A1KDM4EHPGD
SCHEMBL21053046 0.74 ALDH1A1 (0.41) GAAAPOBEC3GALDH1A1KDM4EHPGD
SCHEMBL20068161 0.68 ALDH1A1 (0.43) GAAAPOBEC3GALDH1A1KDM4EHPGD
SCHEMBL9640578 0.62 POLB (0.56) GAAAPOBEC3GALDH1A1KDM4EHPGD
Water SCHEMBL7594637 0.61
SCHEMBL3678909 0.61 KDM4E (0.39) GAAAPOBEC3GALDH1A1KDM4EHPGD
SCHEMBL3591108 0.59
SCHEMBL4919077 0.59 ATM (0.55) GAAAPOBEC3GALDH1A1KDM4EHPGD
SCHEMBL14511650 0.59
SCHEMBL13182125 0.59 MAPT (0.40) GAAAPOBEC3GALDH1A1KDM4EHPGD

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 GAA 3664/4885APOBEC3G 2935/4885ALDH1A1 3940/4885
US-20190167688-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 GAA 3664/4885APOBEC3G 2935/4885ALDH1A1 3940/4885

“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.