SCHEMBL1937563

SCHEMBL1937563

CC(C)(C)OC(=O)NC1CCC(Nc2nc(Cl)c(C(=O)O)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.45
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
KAT8 Q9H7Z6 2/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
MERTK Q12866 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
PARP1 P09874 1/20 0.39
HPGD P15428 1/20 0.38
JAK3 P52333 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL1937562 1.00 BTK (0.45) BTKROCK2ROCK1KEAP1NFE2L2
SCHEMBL1937553 0.91 ROCK2 (0.45) BTKROCK2ROCK1KAT8KDM1A
SCHEMBL1937551 0.91 ROCK2 (0.45) BTKROCK2ROCK1KAT8KDM1A
SCHEMBL14909359 0.86 SYK (0.42) BTKROCK2ROCK1KEAP1NFE2L2
SCHEMBL14927551 0.86 SYK (0.42) BTKROCK2ROCK1KEAP1NFE2L2
SCHEMBL14909358 0.86 SYK (0.42) BTKROCK2ROCK1KEAP1NFE2L2
SCHEMBL16202740 0.78 MERTK (0.49) BTKKDM1AMAOBMERTKCKS1B
SCHEMBL14910267 0.77 SYK (0.49) ROCK2ROCK1PARP1
SCHEMBL14910843 0.77 SYK (0.42) BTKROCK2ROCK1JAK3
SCHEMBL14927559 0.77 SYK (0.42) BTKROCK2ROCK1JAK3

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 BTK 500/4885ROCK2 2/4885ROCK1 1/4885

“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.