SCHEMBL4236899

SCHEMBL4236899

Cc1ccccc1-n1nc(C(Br)C(=O)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 6/20 0.44
MAPK14 Q16539 5/20 0.44
MAPK13 O15264 4/20 0.44
MAPK12 P53778 3/20 0.44
P2RX7 Q99572 1/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
MPI P34949 1/20 0.34
HTT P42858 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5796462 0.90 MAPK14 (0.46) MAPK11MAPK14MAPK13MAPK12P2RX7
SCHEMBL4243698 0.85 ALDH1A1 (0.39) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795810 0.82 MAPK11 (0.37) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL4239808 0.77 MAPK11 (0.46) MAPK11MAPK14MAPK13MAPK12P2RX7
SCHEMBL29594171 0.70 MAPK13 (0.40) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL4243639 0.70 MAPK13 (0.40) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5797396 0.69 MAPK14 (0.47) MAPK11MAPK14MAPK13MAPK12P2RX7
SCHEMBL4300045 0.68 MAPK14 (0.52) MAPK14CES2CES1ALDH1A1KDM4E
SCHEMBL4242626 0.68 CES2 (0.43) MAPK11MAPK14MAPK13MAPK12CES2
SCHEMBL4240705 0.65 LMNA (0.47) MAPK11MAPK14MAPK13MAPK12CYP2C9

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
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
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 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 MAPK11 1195/4885MAPK14 852/4885MAPK13 1439/4885

“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.