SCHEMBL508769

SCHEMBL508769

COc1ccc(CN(C(=O)c2cnc(Nc3ccc(C=Cc4ccccc4)cc3)s2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.50
MAPK12 P53778 3/20 0.50
MAPK11 Q15759 3/20 0.50
MAPK14 Q16539 3/20 0.50
TRPM8 Q7Z2W7 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BCL2A1 Q16548 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 3/20 0.44
GAA P10253 2/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.41
RNF4 P78317 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
SCHEMBL508768 1.00 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14TRPM8
SCHEMBL508761 0.91 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14TRPM8
SCHEMBL508762 0.91 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14TRPM8
SCHEMBL509598 0.91 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14TRPM8
SCHEMBL13363657 0.87 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL508789 0.87 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL508844 0.79 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL508843 0.79 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL11981302 0.78 MEN1 (0.64) TRPM8MEN1KMT2ABCL2A1SMN1; SMN2
SCHEMBL509223 0.77 BCL2A1 (0.56) MEN1KMT2ABCL2A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
WO-2010054107-A2 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2010-05-14 WO disclosed
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2010-05-06 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-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors MAP3K20, MAP3K6, MAP3K19 MAPK13 130/4885MAPK12 286/4885MAPK11 284/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 MAPK13 130/4885MAPK12 286/4885MAPK11 284/4885

“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.