SCHEMBL6232624

SCHEMBL6232624

O=c1c(Br)c(OCc2ccccc2)cnn1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.67
NR2E3 Q9Y5X4 1/20 0.51
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PFKFB3 Q16875 1/20 0.46
NPBWR1 P48145 1/20 0.45
RECQL P46063 1/20 0.44

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
SCHEMBL6265589 0.93 MAPK14 (0.62) MAPK14NR2E3ALDH1A1HTT
SCHEMBL6291906 0.86 MAPK14 (0.65) MAPK14NR2E3ALDH1A1HTTHSD17B10
SCHEMBL4178254 0.84 ALDH1A1 (0.61) MAPK14NR2E3ALDH1A1HTTHSD17B10
SCHEMBL6378489 0.83 NPBWR1 (0.54) MAPK14NR2E3ALDH1A1HTTHSD17B10
SCHEMBL6371703 0.81 MAPK14 (0.59) MAPK14NR2E3ALDH1A1HTTHSD17B10
SCHEMBL6370909 0.81 MAPK14 (1.00) MAPK14ALDH1A1HTT
SCHEMBL4047300 0.79 ALDH1A1 (0.54) NR2E3ALDH1A1HTTHSD17B10PFKFB3
SCHEMBL6288420 0.78 MAPK14 (1.00) MAPK14ALDH1A1
SCHEMBL4470415 0.77 MAPK14 (1.00) MAPK14ALDH1A1HTT
SCHEMBL6604659 0.77 PFKFB3 (0.52) NR2E3ALDH1A1HTTHSD17B10PFKFB3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 US disclosed
WO-2005007632-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2005-01-27 WO disclosed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 US disclosed
EP-1470112-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 Pharmacia Corporation (US) 2004-10-27 EP disclosed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2003059891-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2003-07-24 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 (3 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-20040142932-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 29/4885NR2E3 2748/4885ALDH1A1 1889/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885NR2E3 2373/4885ALDH1A1 2217/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885NR2E3 2373/4885ALDH1A1 2217/4885

“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.