SCHEMBL5584400

SCHEMBL5584400

COc1ccc(-c2cc(CCCN3CCN(C)CC3)c(=O)n(Cc3ccc(F)cc3)n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
CNR2 P34972 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
F2R P25116 1/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
MET P08581 3/20 0.39
ABCB1 P08183 2/20 0.39
MPO P05164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
MC4R P32245 1/20 0.38
HGF P14210 1/20 0.38
MST1R Q04912 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL5584529 0.92 CNR2 (0.40) MAPK1CNR2TP53MDM2F2R
SCHEMBL1924631 0.91 ALDH1A1 (0.44) MAPK1CNR2TP53MDM2PDE4A
SCHEMBL1924335 0.88 PDE4D (0.46) MAPK1TP53MDM2F2RPDE4A
SCHEMBL5584383 0.88 CNR2 (0.39) CNR2TP53MDM2
SCHEMBL5584164 0.86 TP53 (0.46) CNR2TP53MDM2PDE4APDE4B
SCHEMBL1924751 0.85 GRIN1 (0.41) MAPK1F2RPDE4APDE4BPDE4C
SCHEMBL1926844 0.85 ALDH1A1 (0.44) MAPK1TP53MDM2PDE4APDE4B
SCHEMBL1925346 0.83 ALDH1A1 (0.44) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL5584428 0.83 PDE4D (0.44) MAPK1TP53MDM2F2RPDE4A
Hydrochloric Acid SCHEMBL5584461 0.82 ALDH1A1 (0.43) MAPK1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases KOWA CO., LTD. (JP) 2006-06-29 US claimed
EP-1604984-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2005-12-14 EP claimed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US claimed
US-7211577-B2 Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO., LTD. (JP) 2007-05-01 US disclosed
US-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases KOWA CO., LTD. (JP) 2006-06-29 US disclosed
EP-1604984-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2005-12-14 EP disclosed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US disclosed
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2004-01-01 US 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 (2 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-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases IL1B, IL1A, IL1R1 MAPK1 246/4885CNR2 2914/4885TP53 1443/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 MAPK1 310/4885CNR2 1362/4885TP53 1226/4885

“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.