SCHEMBL4825609

SCHEMBL4825609

O=C(Cc1ccccc1)CN1CCCn2c1nc(-c1ccncc1)c(-c1cccc(C(F)(F)F)c1)c2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.40
GRIN1 Q05586 5/20 0.37
GRIN2B Q13224 5/20 0.37
ELANE P08246 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
GPR142 Q7Z601 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MAOB P27338 2/20 0.36
TLR7 Q9NYK1 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CPT2 P23786 1/20 0.35

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
SCHEMBL4824064 0.92 RXRA (0.37) ORAI1GRIN1GRIN2BELANECNR2
SCHEMBL4817627 0.90 MAPK9 (0.35) ORAI1GRIN1GRIN2BELANECNR2
SCHEMBL4817629 0.90 MAPK9 (0.35) ORAI1GRIN1GRIN2BELANECNR2
SCHEMBL4824396 0.86 CPT2 (0.39) GRIN1GRIN2BELANEMAPK11MAPK14
SCHEMBL4819979 0.85 MAPK9 (0.38) GRIN1GRIN2BELANECNR2MAPK13
SCHEMBL4820931 0.83 ELANE (0.36) GRIN1GRIN2BELANECNR2MAPK13
SCHEMBL4825285 0.82 ELANE (0.33) GRIN1GRIN2BELANECNR2MAPK13
SCHEMBL4826214 0.77 RIPK3 (0.37) GRIN1GRIN2BELANEMAPK11MAPK14
SCHEMBL4820890 0.73 MAPK14 (0.42) GRIN1GRIN2BMAPK13RAF1MAPK9
SCHEMBL14064566 0.72 MAPK14 (0.37) MAPK13MAPK9MAPK12MAPK11MAPK14

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 10 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 claimed
EP-1656366-A1 SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP claimed
WO-2005019202-A1 SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2005-03-03 WO claimed
US-20050043301-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-24 US claimed
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 ORAI1 2774/4885GRIN1 1159/4885GRIN2B 1652/4885

“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.