SCHEMBL13360642

SCHEMBL13360642

CN(C(=O)c1cnc(Nc2ccc(C(=O)/C=C/CN3CCCC3CO)cc2)s1)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
EGFR P00533 3/20 0.34
ERBB2 P04626 2/20 0.34
AURKA O14965 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
APP P05067 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SNCA P37840 1/20 0.34
BRCA1 P38398 1/20 0.34
KMT2A Q03164 1/20 0.34
MLNR O43193 3/20 0.33

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
SCHEMBL10188133 0.93 NPC1 (0.37) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL10188138 0.78 RAB9A (0.42) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL13360644 0.70 RAB9A (0.41) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL10151712 0.67 ABL1 (0.45) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL509132 0.66 MAPK13 (0.35) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL508843 0.65 MAPK13 (0.40) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL508844 0.65 MAPK13 (0.40) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL508873 0.64 MAPK14 (0.46) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL508872 0.64 MAPK14 (0.46) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL10188157 0.62 LCK (0.45) NPC1RAB9AMAPK14EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 NPC1 2962/4885RAB9A 2042/4885MAPK13 130/4885

“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.