SCHEMBL508872

SCHEMBL508872

O=C(/C=C/CN1CCCC1)c1ccc(Nc2ncc(C(=O)Nc3ccccc3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.46
MAPK13 O15264 6/20 0.46
MAPK12 P53778 6/20 0.46
MAPK11 Q15759 6/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
PTPN1 P18031 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
ERBB4 Q15303 2/20 0.40
JAK3 P52333 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL508873 1.00 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL10188135 0.84 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL10151712 0.84 ABL1 (0.45) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL10188128 0.84 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL10188157 0.80 LCK (0.45) MAPK14NPC1RAB9AEGFRERBB2
SCHEMBL10151642 0.78 KMT2A (0.41) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL10188138 0.77 RAB9A (0.42) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL10188155 0.72 MCHR1 (0.43) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL508843 0.71 MAPK13 (0.40) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL508844 0.71 MAPK13 (0.40) MAPK14MAPK13MAPK12MAPK11NPC1

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 MAPK14 187/4885MAPK13 130/4885MAPK12 286/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 MAPK14 187/4885MAPK13 130/4885MAPK12 286/4885

“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.