SCHEMBL5584920

SCHEMBL5584920

Cc1cc(-c2cc(C(=O)O)c(=O)n(CCCc3cccc(Cl)c3)n2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.41
CNR2 P34972 6/20 0.40
TP53 P04637 4/20 0.40
MAPT P10636 4/20 0.40
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MDM2 Q00987 2/20 0.38
MET P08581 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL5584394 0.90 CNR2 (0.43) PDE4BCNR2TP53MAPTPDE4A
SCHEMBL5584142 0.89 PDE4B (0.44) PDE4BCNR2TP53MAPTSRC
SCHEMBL5584596 0.86 PDE4B (0.41) PDE4BCNR2TP53MAPTPDE4A
SCHEMBL5584830 0.86 MAPT (0.39) PDE4BTP53MAPTPDE4APDE4C
SCHEMBL5584166 0.84 CNR2 (0.45) PDE4BCNR2TP53MAPTPDE4D
SCHEMBL1925446 0.83 CNR2 (0.49) PDE4BCNR2MAPTPDE4APDE4C
SCHEMBL5584513 0.80 CNR2 (0.53) PDE4BCNR2TP53MAPTPOLB
SCHEMBL5584480 0.80 ALDH1A1 (0.39) PDE4BCNR2TP53MAPTPDE4A
SCHEMBL5584809 0.80 PDE4A (0.37) PDE4BTP53MAPTPDE4APDE4C
SCHEMBL5584459 0.80 KMT2A (0.49) PDE4BCNR2TP53MAPT

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-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 PDE4B 2058/4885CNR2 2914/4885TP53 1443/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PDE4B 3545/4885CNR2 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.