SCHEMBL4819979

SCHEMBL4819979

O=c1c(-c2cccc(C(F)(F)F)c2)c(-c2ccncc2)nc2n1CCCN2CC(O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 4/20 0.38
MAP4K4 O95819 2/20 0.38
CSNK1D P48730 2/20 0.38
CDC42BPA Q5VT25 2/20 0.38
MINK1 Q8N4C8 2/20 0.38
FRK P42685 1/20 0.38
CSNK1A1 P48729 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
ELANE P08246 2/20 0.36
MAPK14 Q16539 4/20 0.36
MAPK13 O15264 3/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
RAF1 P04049 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
LYN P07948 1/20 0.36
PRKACA P17612 1/20 0.36
PRKCI P41743 1/20 0.36
MAPK8 P45983 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
SCHEMBL4820931 0.92 ELANE (0.36) MAPK9MAP4K4CSNK1DCDC42BPAMINK1
SCHEMBL4826214 0.86 RIPK3 (0.37) ELANEMAPK14MAPK11ROCK2ROCK1
SCHEMBL4825609 0.85 ORAI1 (0.40) MAPK9ELANEMAPK14MAPK13MAPK12
SCHEMBL4824064 0.83 RXRA (0.37) MAPK9ELANEMAPK14MAPK13MAPK12
SCHEMBL4817629 0.83 MAPK9 (0.35) MAPK9MAP4K4CSNK1DCDC42BPAMINK1
SCHEMBL4817627 0.83 MAPK9 (0.35) MAPK9MAP4K4CSNK1DCDC42BPAMINK1
SCHEMBL4825285 0.79 ELANE (0.33) MAPK9MAP4K4CSNK1DCDC42BPAMINK1
SCHEMBL4824396 0.77 CPT2 (0.39) ELANEMAPK14MAPK11ROCK2ROCK1
SCHEMBL14064562 0.73 MAPK14 (0.38) MAPK9MAP4K4CSNK1DCDC42BPAMINK1
SCHEMBL4816447 0.72 NPSR1 (0.38)

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 1787/4885MAP4K4 1286/4885CSNK1D 1643/4885

“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.