SCHEMBL21048248

SCHEMBL21048248

Cc1nc(C)c2c(n1)sc1c(N3CCC(F)(F)C3)ncnc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 9/20 0.59
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL21048235 0.93 CHRM4 (0.56) CHRM4KDM4EMAPTKMT2AMAPK1
SCHEMBL21048226 0.84 CHRM4 (0.59) CHRM4KDM4EMAPTKMT2AMAPK1
SCHEMBL30187856 0.84 CHRM4 (0.70) CHRM4KDM4EMAPTKMT2A
SCHEMBL19741115 0.84 CHRM4 (0.70) CHRM4KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL30193513 0.83 CHRM4 (0.72) CHRM4KDM4EMAPT
Hydrochloric Acid SCHEMBL19741177 0.83 CHRM4 (0.72) CHRM4KDM4EMAPT
SCHEMBL21075921 0.82 CHRM4 (0.48) CHRM4
SCHEMBL21048214 0.82 CHRM4 (0.69) CHRM4KDM4EMAPTKMT2AMAPK1
SCHEMBL21048232 0.82 CHRM4 (0.69) CHRM4KDM4EMAPTKMT2AMAPK1
SCHEMBL21048259 0.79 MAPK1 (0.71) CHRM4KDM4EMAPTKMT2AMAPK1

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
EP-3720860-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2020-10-14 EP claimed
US-10736898-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2020-08-11 US claimed
WO-2019113179-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2019-06-13 WO 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
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 CHRM4 1/4885KDM4E 862/4885MAPT 652/4885
US-20190167688-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CHRM4 1/4885KDM4E 862/4885MAPT 652/4885

“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.