SCHEMBL4712296

SCHEMBL4712296

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC(CN2CCOCC2)C3)ccc1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.76
MAPK11 Q15759 7/20 0.76
CYP2C9 P11712 1/20 0.76
MAPK14 Q16539 7/20 0.35
MAPK12 P53778 6/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
CSNK1D P48730 3/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 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
Hydrochloric Acid SCHEMBL4242590 0.99 MAPK13 (0.75) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4712375 0.93 MAPK13 (0.79) MAPK13MAPK11CYP2C9MAPK14MAPK12
Hydrochloric Acid SCHEMBL4241216 0.92 MAPK13 (0.78) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4243475 0.92 MAPK11 (0.77) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL29593587 0.92 MAPK11 (0.77) MAPK13MAPK11CYP2C9MAPK14MAPK12
Hydrochloric Acid SCHEMBL4240276 0.91 MAPK11 (0.76) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4239820 0.90 MAPK13 (0.82) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4711924 0.89 MAPK13 (0.73) MAPK13MAPK11CYP2C9MAPK14MAPK12
Hydrochloric Acid SCHEMBL4242574 0.88 MAPK13 (0.72) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4240674 0.87 MAPK13 (0.69) MAPK13MAPK11CYP2C9MAPK14MAPK12

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 4 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
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 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.