SCHEMBL21048258

SCHEMBL21048258

Cc1nc(C)c(C#N)c(S)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31
STAT3 P40763 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CG P48736 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
SCHEMBL13431156 0.83 KDM4E (0.39) KDM4EPKMMEN1GLATSHR
SCHEMBL27453318 0.80 ALDH1A1 (0.47) KDM4EMEN1GLATSHRHTT
SCHEMBL21076006 0.78 KDM4E (0.33) KDM4EMEN1GLATSHRHTT
SCHEMBL21048260 0.75 MAPK1 (0.37) KDM4EMEN1GLAHTTKMT2A
SCHEMBL20851218 0.73 KDM4E (0.34) KDM4EPKMMEN1GLATSHR
SCHEMBL4278150 0.73 KDM4E (0.48) KDM4EHTTALDH1A1HPGDPPARG
SCHEMBL3174550 0.73 HTT (0.36) KDM4EPKMMEN1GLATSHR
SCHEMBL14966401 0.73 ALDH1A1 (0.35) KDM4EPKMMEN1GLATSHR
SCHEMBL21048241 0.72 PKM (0.38) KDM4EPKMMEN1TSHRKMT2A
SCHEMBL21048255 0.71 HTT (0.35) KDM4EMEN1TSHRHTTKMT2A

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 KDM4E 862/4885PKM 2087/4885MEN1 3361/4885
US-20190167688-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 KDM4E 862/4885PKM 2087/4885MEN1 3361/4885

“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.