SCHEMBL1935537

SCHEMBL1935537

CCOc1nc(NC2CCC(N(C(=O)O)C(C)(C)C)CC2)c(Br)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.33
CSNK2A1 P68400 1/20 0.33
KDM4E B2RXH2 5/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
ACHE P22303 1/20 0.32
RORC P51449 1/20 0.32
RXFP1 Q9HBX9 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ACACB O00763 2/20 0.31

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
SCHEMBL1935533 1.00 IRAK4 (0.33) IRAK4CSNK2A1KDM4EMAPTALDH1A1
SCHEMBL2179806 0.92 MTOR (0.34) IRAK4CSNK2A1KDM4EMAPTALDH1A1
SCHEMBL2179809 0.92 MTOR (0.34) IRAK4CSNK2A1KDM4EMAPTALDH1A1
SCHEMBL2180968 0.89 KDM4E (0.35) IRAK4CSNK2A1KDM4EMAPTALDH1A1
SCHEMBL1936073 0.89 ROCK2 (0.39) IRAK4CSNK2A1KDM4EMAPTALDH1A1
SCHEMBL2179229 0.89 IRAK4 (0.33) IRAK4CSNK2A1KDM4EMAPTALDH1A1
SCHEMBL1936072 0.89 ROCK2 (0.39) IRAK4CSNK2A1KDM4EMAPTALDH1A1
SCHEMBL2179225 0.89 IRAK4 (0.33) IRAK4CSNK2A1KDM4EMAPTALDH1A1
SCHEMBL2180970 0.89 KDM4E (0.35) IRAK4CSNK2A1KDM4EMAPTALDH1A1
SCHEMBL1937124 0.84 ROCK2 (0.41) MAPK8MAPK9SYK

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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 EP disclosed
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 IRAK4 1074/4885CSNK2A1 590/4885KDM4E 789/4885

“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.