SCHEMBL4246034

SCHEMBL4246034

CCOC(=O)CCNc1c(-c2ccc(=O)n(-c3ccccc3C)n2)c(-c2ccc(F)cc2)nn1CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.48
MAPK11 Q15759 3/20 0.48
CYP2C9 P11712 1/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 1/20 0.36
HTT P42858 1/20 0.36
FAAH O00519 1/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK12 P53778 2/20 0.36
ADORA1 P30542 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
SCHEMBL4243533 0.88 MAPK13 (0.53) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL4236904 0.83 MAPK13 (0.52) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL5807489 0.80 MAPK13 (0.53) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL4237364 0.77 MAPK13 (0.53) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL5808420 0.74 MAPK11 (0.54) MAPK13MAPK11CYP2C9ALDH1A1MAPT
SCHEMBL28771122 0.73 MAPK13 (0.41) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL4246294 0.73 MAPK11 (0.55) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL4246031 0.72 MAPK13 (0.49) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL5811657 0.72 MAPK11 (0.54) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL13928967 0.71 MAPK13 (0.55) MAPK13MAPK11CYP2C9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC (JP) 2009-02-12 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-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN HRH2, OPRD1, HRH4 MAPK13 1439/4885MAPK11 1195/4885CYP2C9 359/4885

“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.