SCHEMBL2230724

SCHEMBL2230724

NC(=O)c1ccc2sccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.42
PIM1 P11309 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR2B P41595 1/20 0.36
PTPN1 P18031 1/20 0.35
APP P05067 1/20 0.35
LMNA P02545 1/20 0.34
NNMT P40261 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
GRM2 Q14416 4/20 0.33
GFER P55789 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL30577686 1.00 MAP3K14 (0.42) MAP3K14PIM1KMT2AMEN1ALDH1A1
SCHEMBL286929 0.83 MGAM (0.48) KMT2AMEN1ALDH1A1LMNACSNK2A2
SCHEMBL7534470 0.77 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL3425728 0.76 PIM1 (0.53) MAP3K14PIM1KMT2AMEN1ALDH1A1
SCHEMBL30540473 0.72 MAP3K14 (0.47) MAP3K14PIM1KMT2AMEN1ALDH1A1
SCHEMBL30093042 0.71 ALDH1A1 (0.35) PIM1KMT2AMEN1ALDH1A1MAPT
SCHEMBL16011610 0.71 ALDH1A1 (0.35) PIM1KMT2AMEN1ALDH1A1MAPT
SCHEMBL5174321 0.70 DYRK1A (0.32) MAPTNPC1RAB9A
SCHEMBL1208246 0.68 CHRNA7 (0.52) MAP3K14PIM1KMT2AMEN1ALDH1A1
SCHEMBL1207766 0.68 CHRNA7 (0.48) MAP3K14PIM1KMT2AAPPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2021-09-07 US disclosed
US-20210230180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2021-07-29 US disclosed
EP-3416639-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 Vanderbilt University (US) 2018-12-26 EP disclosed
WO-2017143041-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2017-08-24 WO disclosed
US-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2011-10-27 US disclosed
EP-2341904-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS Fibrogen, Inc. (US) 2011-07-13 EP disclosed
WO-2010024908-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2010-03-04 WO disclosed
WO-2010024911-A1 METHODS FOR INCREASING NEUROGENESIS FIBROGEN, INC. (US) 2010-03-04 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 (3 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-20210230180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 MAP3K14 2892/4885PIM1 4090/4885KMT2A 908/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 MAP3K14 2892/4885PIM1 4090/4885KMT2A 908/4885
US-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS PMP22, MAG, NEFM MAP3K14 4722/4885PIM1 4403/4885KMT2A 2690/4885

“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.