SCHEMBL4817627

SCHEMBL4817627

O=c1c(-c2cccc(C(F)(F)F)c2)c(-c2ccncc2)nc2n1CCCN2C/C(Cc1ccccc1)=N/O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK12 P53778 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
ELANE P08246 1/20 0.34
CNR2 P34972 1/20 0.34
MAOB P27338 2/20 0.33
GPR142 Q7Z601 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAP4K4 O95819 1/20 0.33
FRK P42685 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 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
SCHEMBL4817629 1.00 MAPK9 (0.35) MAPK9MAPK11MAPK14MAPK13RAF1
SCHEMBL4825609 0.90 ORAI1 (0.40) MAPK9MAPK11MAPK14MAPK13RAF1
SCHEMBL4824064 0.85 RXRA (0.37) MAPK9MAPK11MAPK14MAPK13RAF1
SCHEMBL4825285 0.85 ELANE (0.33) MAPK9MAPK11MAPK14MAPK13RAF1
SCHEMBL4819979 0.83 MAPK9 (0.38) MAPK9MAPK11MAPK14MAPK13RAF1
SCHEMBL4820931 0.81 ELANE (0.36) MAPK9MAPK11MAPK14MAPK13RAF1
SCHEMBL4824396 0.79 CPT2 (0.39) MAPK11MAPK14ROCK2ROCK1GRIN1
SCHEMBL4826214 0.75 RIPK3 (0.37) MAPK11MAPK14ROCK2ROCK1GRIN1
SCHEMBL4820890 0.71 MAPK14 (0.42) MAPK9MAPK11MAPK14MAPK13RAF1
SCHEMBL5791511 0.68 MAPK9 (0.47) MAPK9MAPK11MAPK14MAPK13RAF1

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 MAPK9 1787/4885MAPK11 1540/4885MAPK14 2458/4885

“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.