SCHEMBL509224

SCHEMBL509224

COc1ccc(CN(C(=O)c2cnc(Nc3ccc(C(C)=O)cc3)s2)c2ccc(F)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
MAPK14 Q16539 3/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
ALOX5 P09917 1/20 0.37
TP53 P04637 1/20 0.37
SLC2A1 P11166 1/20 0.37
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
TUBB8B A6NNZ2 1/20 0.36

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
SCHEMBL509132 0.84 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL509131 0.84 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL509648 0.81 MEN1 (0.41) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL509598 0.71 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL508769 0.69 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL508768 0.69 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL12702964 0.68 LCK (0.49) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL508789 0.68 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL12703033 0.68 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL13363657 0.68 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MEN1

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
US-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
US-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
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
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
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2010-05-06 US 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.