SCHEMBL10070513

SCHEMBL10070513

Fc1ccc(-c2n[nH]c(C3CCNCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
MAPK11 Q15759 2/20 0.50
MAPK14 Q16539 2/20 0.50
KIT P10721 2/20 0.50
MAPK13 O15264 1/20 0.50
RAF1 P04049 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK12 P53778 1/20 0.50
AOC3 Q16853 7/20 0.45
TLR9 Q9NR96 2/20 0.44
TLR8 Q9NR97 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
USP30 Q70CQ3 2/20 0.42
SSTR3 P32745 1/20 0.41

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
SCHEMBL10069533 0.85 MKNK1 (0.43) MKNK1MKNK2MAPK11MAPK14KIT
SCHEMBL10070508 0.85 NR1H2 (0.45) AOC3TLR9TLR8TLR7USP30
SCHEMBL10070058 0.84 USP30 (0.56) AOC3TLR9TLR8TLR7USP30
SCHEMBL2972353 0.83 MKNK1 (0.52) MKNK1MKNK2MAPK11MAPK14MAPK13
SCHEMBL10070112 0.83 CPT1A (0.45) MKNK1MKNK2KITTLR9TLR8
SCHEMBL12231269 0.77 KIT (0.52) MAPK11MAPK14KITAOC3USP30
SCHEMBL10070509 0.77 CPT2 (0.45) MKNK1MKNK2AOC3USP30
SCHEMBL4543850 0.75 SSTR3 (0.39) MKNK1MKNK2MAPK11MAPK14KIT
SCHEMBL10070543 0.74 GABRA1 (0.45) TLR9TLR8TLR7USP30
SCHEMBL31628181 0.74 NR1H2 (0.50) MAPK14KITAOC3TLR9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 WO 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 MKNK1 2805/4885MKNK2 2888/4885MAPK11 2180/4885

“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.