SCHEMBL4239796

SCHEMBL4239796

CCOC(=O)C(CO)CNc1[nH]nc(-c2ccc(F)cc2F)c1-c1ccc(=O)n(-c2ccccc2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 6/20 0.46
MAPK13 O15264 5/20 0.46
MAPK14 Q16539 5/20 0.46
MAPK12 P53778 4/20 0.46
CYP2C9 P11712 1/20 0.40
CTSA P10619 2/20 0.33
ALPL P05186 3/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
SLC34A1 Q06495 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4246031 0.90 MAPK13 (0.49) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4243757 0.86 MAPK11 (0.51) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4245632 0.86 MAPK11 (0.51) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4240264 0.84 MAPK11 (0.45) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4240978 0.84 MAPK11 (0.45) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4241336 0.84 MAPK11 (0.45) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL5806925 0.83 MAPK11 (0.51) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4245498 0.83 MAPK13 (0.47) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4243488 0.82 MAPK11 (0.50) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4760876 0.82 MAPK13 (0.51) MAPK11MAPK13MAPK14MAPK12CYP2C9

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 MAPK11 1195/4885MAPK13 1439/4885MAPK14 852/4885

“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.