SCHEMBL21048259

SCHEMBL21048259

Cc1nc(C)c2c(n1)sc1c(N3CCOCC3)ncnc12

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.71
KMT2A Q03164 3/20 0.56
TSHR P16473 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 2/20 0.56
CHRM4 P08173 5/20 0.55
MAPT P10636 2/20 0.54
PIK3CA P42336 2/20 0.54
ABL1 P00519 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
RIN1 Q13671 1/20 0.52
EEF2K O00418 1/20 0.51
HPGD P15428 1/20 0.48

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
SCHEMBL21048232 0.89 CHRM4 (0.69) MAPK1KMT2AKDM4EALDH1A1CHRM4
SCHEMBL21048214 0.89 CHRM4 (0.69) MAPK1KMT2AKDM4EALDH1A1CHRM4
SCHEMBL21048235 0.83 CHRM4 (0.56) MAPK1KMT2AKDM4ECHRM4MAPT
SCHEMBL20841615 0.83 MAPK1 (1.00) MAPK1KMT2ATSHRNPSR1KDM4E
SCHEMBL21048242 0.82 CHRM4 (0.72) MAPK1KMT2AKDM4ECHRM4MAPT
SCHEMBL20841669 0.82 CHRM4 (0.79) MAPK1KMT2ATSHRNPSR1KDM4E
SCHEMBL20841614 0.81 MAPK1 (0.64) MAPK1KMT2ATSHRNPSR1KDM4E
SCHEMBL21048262 0.81 CHRM4 (0.71) MAPK1KMT2AKDM4ECHRM4MAPT
SCHEMBL21048221 0.80 CHRM4 (0.49) MAPK1KMT2AKDM4ECHRM4MAPT
SCHEMBL21048257 0.80 CHRM4 (0.49) MAPK1KMT2AKDM4ECHRM4MAPT

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-10736898-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2020-08-11 US claimed
CN-111433212-A Positive allosteric modulators of muscarinic acetylcholine receptor M4 范德比尔特大学 2020-07-17 CN claimed
US-20190167688-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-06-06 US claimed
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
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 MAPK1 3338/4885KMT2A 851/4885TSHR 82/4885
US-20190167688-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 MAPK1 3338/4885KMT2A 851/4885TSHR 82/4885

“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.