SCHEMBL5584428

SCHEMBL5584428

COc1ccc(-c2cc(CN3CCN(C)CC3)c(=O)n(CCCc3ccc(Cl)cc3)n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.44
PDE4A P27815 5/20 0.44
PDE4B Q07343 5/20 0.44
PDE4C Q08493 5/20 0.44
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.39
F2R P25116 1/20 0.38
F10 P00742 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.37
MDM2 Q00987 2/20 0.37
P2RX3 P56373 1/20 0.37
MAPK1 P28482 1/20 0.37
CHKA P35790 1/20 0.37
MCHR1 Q99705 1/20 0.37
MAP4K1 Q92918 1/20 0.37
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37
TACR3 P29371 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL1924335 0.93 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL1926844 0.92 ALDH1A1 (0.44) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL5584457 0.88 PDE4A (0.42) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL5584143 0.88 CNR2 (0.38) ALDH1A1TP53CHKAMCHR1MAPT
Hydrochloric Acid SCHEMBL5584818 0.87 CNR2 (0.38) ALDH1A1TP53CHKAMCHR1MAPT
SCHEMBL5584577 0.86 PDE4A (0.48) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL5584702 0.86 PDE4A (0.48) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL1924631 0.86 ALDH1A1 (0.44) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL1925346 0.85 ALDH1A1 (0.44) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL1925787 0.85 PDE4A (0.44) PDE4DPDE4APDE4BPDE4CALDH1A1

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 9 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-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2004-01-01 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 PDE4D 2311/4885PDE4A 1624/4885PDE4B 2058/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PDE4D 3341/4885PDE4A 2886/4885PDE4B 3545/4885

“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.