SCHEMBL13408204

SCHEMBL13408204

O=C(O)CN(Sc1cc(Cl)cc(Cl)c1)c1ccc2c(ccn2-c2cnc(N[C@@H]3CCOC3)cn2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.34
IRAK4 Q9NWZ3 4/20 0.33
MAT2A P31153 1/20 0.31
MAOB P27338 1/20 0.30
HTR6 P50406 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL14107624 0.96 IRAK4 (0.36) MAPK8IRAK4
SCHEMBL13408587 0.90 MAPK1 (0.36) MAPK8IRAK4
SCHEMBL14107677 0.86 MAPK1 (0.40) MAPK8IRAK4
SCHEMBL3297113 0.85 MAOB (0.34) MAPK8IRAK4MAT2AMAOBHTR6
SCHEMBL3297110 0.85 MAOB (0.34) MAPK8IRAK4MAT2AMAOBHTR6
SCHEMBL13942083 0.85 IRAK4 (0.36) MAPK8IRAK4
SCHEMBL13409628 0.84 MAPK8 (0.34) MAPK8IRAK4MAOBHTR6
SCHEMBL13408627 0.82 USP2 (0.34) MAPK8
SCHEMBL3299220 0.80 IRAK4 (0.36) MAPK8IRAK4
SCHEMBL13409168 0.80 MAPK1 (0.33) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (1 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 MAPK8 2865/4885IRAK4 2516/4885MAT2A 1431/4885

“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.