SCHEMBL4133354

SCHEMBL4133354

O=C1CCc2cc(-c3c(-c4ccncc4)nn4cccnc34)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PTGS2 P35354 1/20 0.44
GRM1 Q13255 1/20 0.41
HSD17B1 P14061 2/20 0.38
MAPK14 Q16539 3/20 0.37
RAF1 P04049 3/20 0.37
EGFR P00533 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
GSK3B P49841 1/20 0.37
BRAF P15056 8/20 0.37
MAPK3 P27361 4/20 0.37
MAPK1 P28482 4/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MET P08581 1/20 0.35
BMPR1B O00238 2/20 0.35

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
SCHEMBL13772990 0.87 PTGS2 (0.42) PTGS2MAPK14RAF1EGFRADORA3
SCHEMBL13772925 0.84 BRAF (0.56) RAF1BRAFMAPK3MAPK1BMPR1B
SCHEMBL4138293 0.84 BRAF (0.56) RAF1BRAFMAPK3MAPK1BMPR1B
SCHEMBL4127787 0.82 BRAF (0.44) PTGS2RAF1BRAFMAPK3MAPK1
SCHEMBL8836681 0.74 PTGS2 (0.70) PTGS2MAPK14RAF1EGFRADORA3
SCHEMBL8836442 0.74 PTGS2 (0.70) PTGS2MAPK14RAF1EGFRADORA3
SCHEMBL15639663 0.73 CYP1A2 (0.57) CYP1A2CYP11B1CYP11B2PTGS2GRM1
SCHEMBL8836701 0.71 PTGS2 (0.53) PTGS2MAPK14RAF1EGFRADORA3
SCHEMBL4138287 0.70 BRAF (0.69) MAPK14RAF1BRAFMAPK3MAPK1
SCHEMBL8836452 0.69 PTGS2 (0.62) PTGS2MAPK14RAF1EGFRADORA3

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-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 US disclosed
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 US disclosed
US-20060189627-A1 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. 2006-08-24 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-20060189627-A1 RAF inhibitor compounds and methods BRAF, RAF1, ARAF CYP1A2 3511/4885CYP11B1 1525/4885CYP11B2 2113/4885
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF CYP1A2 3511/4885CYP11B1 1525/4885CYP11B2 2113/4885

“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.