SCHEMBL4240677

SCHEMBL4240677

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2N(CCC(=O)N2CCOCC2)CC3)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.51
MAPK13 O15264 2/20 0.51
MAPK11 Q15759 2/20 0.51
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
CSNK1D P48730 3/20 0.36
CSNK1E P49674 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK14 Q16539 2/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
MAPK12 P53778 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
SCHEMBL27735800 0.90 TSHR (0.43) CYP2C9MAPK13MAPK11TSHRKDM4E
SCHEMBL4245919 0.88 MAPK13 (0.55) CYP2C9MAPK13MAPK11KDM4EPOLB
SCHEMBL4243572 0.87 MAPK13 (0.51) CYP2C9MAPK13MAPK11KDM4EHSD17B10
SCHEMBL4237364 0.85 MAPK13 (0.53) CYP2C9MAPK13MAPK11TSHRKDM4E
SCHEMBL4240237 0.84 MAPK11 (0.58) CYP2C9MAPK13MAPK11CSNK1DCSNK1E
SCHEMBL4240662 0.83 MAPK13 (0.56) CYP2C9MAPK13MAPK11CSNK1DCSNK1E
SCHEMBL4240574 0.83 MAPK11 (0.58) CYP2C9MAPK13MAPK11ALDH1A1MAPK14
SCHEMBL29594918 0.83 MAPK11 (0.58) CYP2C9MAPK13MAPK11ALDH1A1MAPK14
SCHEMBL4240652 0.80 MAPK13 (0.52) CYP2C9MAPK13MAPK11KMT2AMEN1
SCHEMBL4239791 0.80 MAPK13 (0.59) CYP2C9MAPK13MAPK11CSNK1DCSNK1E

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 5 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
EP-1919919-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN Astellas Pharma Inc. (JP) 2008-05-14 EP disclosed
WO-2007026950-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC. (JP) 2007-03-08 WO 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 CYP2C9 359/4885MAPK13 1439/4885MAPK11 1195/4885

“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.