SCHEMBL4249689

SCHEMBL4249689

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC2(CCN(C(=O)OC(C)(C)C)CC2)C3)ccc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.55
MAPK11 Q15759 3/20 0.55
CYP2C9 P11712 1/20 0.55
HDAC2 Q92769 2/20 0.38
HDAC1 Q13547 1/20 0.38
SQOR Q9Y6N5 1/20 0.35
MAPK12 P53778 2/20 0.35
MAPK14 Q16539 2/20 0.35
GRIA1 P42261 1/20 0.35
SPR P35270 2/20 0.34
CYP11B2 P19099 1/20 0.34
PARP1 P09874 2/20 0.34
AKT1 P31749 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ROCK2 O75116 1/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
SCD5 Q86SK9 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4236750 0.90 MAPK13 (0.59) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4241448 0.87 MAPK13 (0.64) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4246091 0.86 MAPK13 (0.65) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4245886 0.85 MAPK13 (0.62) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4708826 0.85 MAPK13 (0.60) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL13928958 0.84 MAPK13 (0.63) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4236711 0.84 MAPK13 (0.61) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4246339 0.84 MAPK13 (0.60) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4245279 0.84 MAPK13 (0.60) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL13928951 0.83 MAPK13 (0.59) MAPK13MAPK11CYP2C9MAPK12MAPK14

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 3 patents. 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
US-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC (JP) 2009-02-12 US disclosed
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.