SCHEMBL4237362

SCHEMBL4237362

CC(=O)N1CCC2(CC1)CCn1nc(-c3ccc(F)cc3)c(-c3ccc(=O)n(-c4ccccc4C)n3)c1N2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 5/20 0.58
MAPK13 O15264 4/20 0.58
CYP2C9 P11712 1/20 0.58
MAPK14 Q16539 4/20 0.39
MAPK12 P53778 3/20 0.39
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
GRIA1 P42261 1/20 0.34
CACNG2 Q9Y698 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 1/20 0.33
ROCK2 O75116 2/20 0.32
KCNK3 O14649 3/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
AVPR1A P37288 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4240772 0.89 MAPK13 (0.60) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4241234 0.88 MAPK13 (0.57) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4241218 0.87 MAPK13 (0.54) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL29593350 0.86 MAPK11 (0.59) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4243653 0.86 MAPK11 (0.59) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4242576 0.81 MAPK13 (0.69) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4236750 0.79 MAPK13 (0.59) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5799317 0.79 MAPK13 (0.70) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4240627 0.77 MAPK13 (0.70) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL13928965 0.77 MAPK13 (0.70) MAPK11MAPK13CYP2C9MAPK14MAPK12

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 MAPK11 1195/4885MAPK13 1439/4885CYP2C9 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.