SCHEMBL22188752

SCHEMBL22188752

Cc1nc(-c2ccc(Br)cc2)[nH]c1-c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.57
GCGR P47871 5/20 0.57
MAPK12 P53778 5/20 0.57
MAPK11 Q15759 5/20 0.57
MAPK14 Q16539 5/20 0.57
MAPT P10636 3/20 0.50
TP53 P04637 2/20 0.50
NR1I3 Q14994 1/20 0.46
TNKS O95271 4/20 0.45
TNKS2 Q9H2K2 4/20 0.45
PARP2 Q9UGN5 2/20 0.45
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
TEK Q02763 1/20 0.39

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
SCHEMBL17654426 0.82 SMN1; SMN2 (0.44) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL482405 0.82 TNKS (0.46) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL11516210 0.80 MAPK13 (0.53) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL28158811 0.78 MAPK13 (0.86) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL23758282 0.78 GAA (0.58) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL11516204 0.77 MAPK14 (0.36) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL20425291 0.75 MAPK13 (0.60) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL13115539 0.75 MAPK14 (0.60) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL14045570 0.74 MAPK13 (0.85) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL9196324 0.74 MAPK11 (0.69) MAPK13GCGRMAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941114-B2 Small molecule lipid II inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-03-09 US disclosed
US-10941114-B2 Small molecule lipid II inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-03-09 US disclosed
US-20200216394-A1 Small Molecule Lipid II Inhibitors UNIVERSITY OF MARYLAND, BALTIMORE 2020-07-09 US disclosed
US-20200216394-A1 Small Molecule Lipid II Inhibitors UNIVERSITY OF MARYLAND, BALTIMORE 2020-07-09 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-20200216394-A1 Small Molecule Lipid II Inhibitors DBI, FABP2, HDLBP MAPK13 1858/4885GCGR 2841/4885MAPK12 2944/4885
US-10941114-B2 Small molecule lipid II inhibitors DBI, FABP2, SREBF2 MAPK13 1750/4885GCGR 3386/4885MAPK12 2875/4885

“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.