SCHEMBL20523449

SCHEMBL20523449

COc1cc(Br)cc(N2C(=O)c3ccccc3C2=O)c1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 7/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SCN2A Q99250 1/20 0.47
NR1H2 P55055 4/20 0.46
CASP6 P55212 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GRM1 Q13255 1/20 0.41
GRM4 Q14833 1/20 0.41

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
SCHEMBL20523720 0.85 KMT2A (0.43) NR1H3KMT2ASCN2ANR1H2CASP6
SCHEMBL20523677 0.79 TYMS (0.42) NR1H3KMT2AMEN1SCN2ANR1H2
SCHEMBL30758650 0.74 KMT2A (0.76) NR1H3KMT2AMEN1SCN2ANR1H2
SCHEMBL29168849 0.74 KMT2A (0.76) NR1H3KMT2AMEN1SCN2ANR1H2
SCHEMBL6679321 0.74 KMT2A (0.54) NR1H3KMT2AMEN1SCN2ANR1H2
SCHEMBL31342202 0.72 NR1H3 (0.48) NR1H3KMT2AMEN1SCN2ANR1H2
SCHEMBL6968611 0.71 G6PD (0.59) NR1H3KMT2AMEN1SCN2ANR1H2
SCHEMBL11808285 0.71 ESR1 (0.72) NR1H3KMT2AMEN1SCN2ANR1H2
SCHEMBL6392226 0.71 SCN2A (0.66) NR1H3KMT2AMEN1SCN2ANR1H2
SCHEMBL27712799 0.71 KMT2A (0.53) NR1H3KMT2AMEN1SCN2ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135209-B2 Compositions and methods for inhibiting protein kinases UNIVERSITY OF HOUSTON SYSTEM (US) 2021-10-05 US disclosed
EP-3600307-B1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIV HOUSTON SYSTEM (US) 2021-05-05 EP disclosed
EP-3600307-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES University of Houston System (US) 2020-02-05 EP disclosed
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-01-30 US disclosed
WO-2018183633-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2018-10-04 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 (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-11135209-B2 Compositions and methods for inhibiting protein kinases RIPK2, RIPK1, NOD2 NR1H3 3463/4885KMT2A 3666/4885MEN1 2285/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 NR1H3 3463/4885KMT2A 3666/4885MEN1 2285/4885

“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.