SCHEMBL8375307

SCHEMBL8375307

Cc1ccc(C(N)=O)c(NC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
MAPK8 P45983 5/20 0.45
MAPK9 P45984 3/20 0.45
SYK P43405 1/20 0.40
NNMT P40261 1/20 0.40
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
AHR P35869 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK2 P24941 2/20 0.37
CCNA2 P20248 1/20 0.37
TTK P33981 1/20 0.37
RPS27 P42677 1/20 0.37
ACLY P53396 1/20 0.37
IKBKB O14920 1/20 0.36
LIMK1 P53667 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36

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
SCHEMBL25347556 0.86 ACLY (0.49) MAPTACLYALDH1A1
SCHEMBL30521061 0.83 MAPT (0.39) MAPK8NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL21875463 0.83 MAPT (0.39) MAPK8NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2525382 0.81 MAPK8 (0.44) MAPK8MAPK9SYKNNMTPIM1
SCHEMBL10169191 0.76 MAPK8 (0.54) PARP1MAPK8MAPK9SYKNPC1
SCHEMBL161323 0.74 NNMT (0.61) PARP1NNMTSMN1; SMN2IKBKBLIMK1
SCHEMBL14671110 0.73 MAPK8 (0.55) MAPK8MAPK9SYKNNMTADORA3
SCHEMBL14657985 0.73 MAPK8 (0.66) MAPK8MAPK9SYKADORA3MAPK10
SCHEMBL13733766 0.73 MAPK8 (0.52) MAPK8MAPK9SYKPIM1PIM2
SCHEMBL7460653 0.72 PARP1 (0.46) PARP1NNMTIKBKBLIMK1SIRT3

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-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PARP1 1891/4885MAPK8 963/4885MAPK9 1435/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 PARP1 1891/4885MAPK8 963/4885MAPK9 1435/4885

“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.