SCHEMBL21048255

SCHEMBL21048255

Cc1nc(CC(C)C)nc(S)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HIF1A Q16665 1/20 0.31
KDM5A P29375 1/20 0.31
GCGR P47871 1/20 0.31
POLB P06746 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21048260 0.80 MAPK1 (0.37) HTTKDM4EHPGDSMN1; SMN2MEN1
SCHEMBL14626893 0.79 ALDH1A1 (0.46) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL21048258 0.71 KDM4E (0.34) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4657588 0.70 KDM4E (0.41) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL21076006 0.68 KDM4E (0.33) HTTKDM4ETSHRMEN1KMT2A
SCHEMBL3174550 0.63 HTT (0.36) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL21048241 0.63 PKM (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL29658655 0.62 KMT2A (0.39) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL19717028 0.62 KMT2A (0.39) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL12716504 0.61 HRH4 (0.35) ALDH1A1KDM4EHPGDHSD17B10

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 7 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
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
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 HTT 1341/4885ALDH1A1 3940/4885KDM4E 862/4885
US-20190167688-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 HTT 1341/4885ALDH1A1 3940/4885KDM4E 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.