SCHEMBL4240548

SCHEMBL4240548

Cc1ccccc1-n1nc(-c2c(-c3ccccc3)nn3ccncc23)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
MAPK13 O15264 4/20 0.43
MAPK11 Q15759 4/20 0.43
CYP2C9 P11712 1/20 0.43
ADORA1 P30542 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK12 P53778 3/20 0.39
MAPK14 Q16539 3/20 0.39
IGF1R P08069 1/20 0.36
TSHR P16473 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL5795745 0.87 ADORA1 (0.55) FGFR1FGFR2FGFR3MAPK13MAPK11
SCHEMBL7373031 0.83 ADORA1 (0.48) ADORA1ALDH1A1MAPTMAPK14IGF1R
SCHEMBL7364039 0.81 ADORA1 (0.54) ADORA1KDM4EIGF1RMAPK1
SCHEMBL7362339 0.77 ADORA1 (0.60) ADORA1MAPTKDM4EIGF1R
SCHEMBL7368729 0.77 ADORA1 (0.52) ADORA1ALDH1A1KDM4EIGF1RTSHR
SCHEMBL7367701 0.76 ADORA1 (0.42) FGFR1FGFR2FGFR3ADORA1IGF1R
SCHEMBL7371146 0.75 ADORA1 (0.41) FGFR1FGFR2FGFR3ADORA1IGF1R
SCHEMBL7365823 0.75 ADORA1 (0.50) ADORA1
SCHEMBL7369957 0.74 PDE3A (0.48) ADORA1MAPK14IGF1RGSK3BMAPK1
SCHEMBL5671169 0.74 ADORA2A (0.40) ADORA1MAPK14GSK3B

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 FGFR1 3117/4885FGFR2 3962/4885FGFR3 4209/4885

“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.