SCHEMBL4820931

SCHEMBL4820931

O=c1c(-c2cccc(C(F)(F)F)c2)c(-c2ccncc2)nc2n1CCCN2CC(O)CCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
MAPK14 Q16539 3/20 0.35
MAPK9 P45984 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK12 P53778 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAP4K4 O95819 1/20 0.34
FRK P42685 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
OPRK1 P41145 1/20 0.34
CNR2 P34972 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33

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
SCHEMBL4819979 0.92 MAPK9 (0.38) ELANEMAPK14MAPK9MAPK11MAPK13
SCHEMBL4824064 0.85 RXRA (0.37) ELANEMAPK14MAPK9MAPK11MAPK13
SCHEMBL4826214 0.85 RIPK3 (0.37) ELANEMAPK14MAPK11ROCK2ROCK1
SCHEMBL4825609 0.83 ORAI1 (0.40) ELANEMAPK14MAPK9MAPK11MAPK13
SCHEMBL4817629 0.81 MAPK9 (0.35) ELANEMAPK14MAPK9MAPK11MAPK13
SCHEMBL4817627 0.81 MAPK9 (0.35) ELANEMAPK14MAPK9MAPK11MAPK13
SCHEMBL4816447 0.81 NPSR1 (0.38) LMNAMAPK1NPSR1ADORA2AADORA2B
SCHEMBL4825285 0.80 ELANE (0.33) ELANEMAPK14MAPK9MAPK11MAPK13
SCHEMBL4824396 0.76 CPT2 (0.39) ELANEMAPK14MAPK11ROCK2ROCK1
SCHEMBL14064562 0.71 MAPK14 (0.38) MAPK14MAPK9MAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429594-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-30 US disclosed
US-7429594-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-30 US disclosed
US-7429594-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-30 US disclosed
EP-1656366-A1 SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
WO-2005019202-A1 SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2005-03-03 WO disclosed
US-20050043301-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-24 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 (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-20050043301-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 ELANE 2283/4885MAPK14 2458/4885MAPK9 1787/4885

“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.