SCHEMBL4245915

SCHEMBL4245915

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3F)nn3c2NC(C)(C)C3)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 11/20 0.54
MAPK13 O15264 10/20 0.54
MAPK14 Q16539 10/20 0.54
MAPK12 P53778 9/20 0.54
CYP2C9 P11712 1/20 0.50
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
OPRM1 P35372 2/20 0.34
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
G6PD P11413 1/20 0.31
PKM P14618 1/20 0.31
MPI P34949 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL13928910 0.91 MAPK11 (0.53) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4243610 0.87 MAPK11 (0.54) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4245116 0.86 MAPK11 (0.53) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4239907 0.85 MAPK11 (0.56) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4244010 0.84 MAPK11 (0.51) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL5812510 0.83 MAPK11 (0.56) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4240260 0.82 MAPK11 (0.53) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4240916 0.81 MAPK11 (0.64) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL4244097 0.81 MAPK11 (0.64) MAPK11MAPK13MAPK14MAPK12CYP2C9
SCHEMBL29594233 0.80 MAPK11 (0.65) 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 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 1439/4885MAPK14 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.