SCHEMBL1924985

SCHEMBL1924985

CN1CCN(Cc2cc(-c3ccc([S+](C)[O-])cc3)nn(CC3CC3)c2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.33
DYRK1A Q13627 6/20 0.33
WNT1 P04628 3/20 0.33
PDE5A O76074 1/20 0.32
MAP4K1 Q92918 1/20 0.32
TYRO3 Q06418 4/20 0.32
MERTK Q12866 3/20 0.32
AXL P30530 2/20 0.32
CHKA P35790 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NR4A2 P43354 1/20 0.31
DCTPP1 Q9H773 1/20 0.31
TDP2 O95551 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
Hydrochloric Acid SCHEMBL1925092 0.99 GSK3B (0.33) GSK3BDYRK1AWNT1PDE5AMAP4K1
SCHEMBL1926890 0.85 PTGS2 (0.44) MERTK
SCHEMBL1925537 0.85 NMT1 (0.32) CHKACDK1CCNB1MEN1KMT2A
Hydrochloric Acid SCHEMBL5584279 0.84 PTGS2 (0.43) MERTK
Hydrochloric Acid SCHEMBL1925461 0.84 NMT1 (0.32) CHKACDK1CCNB1MEN1KMT2A
SCHEMBL1925632 0.84 HTR6 (0.35) GSK3BDYRK1APDE5AMAP4K1CHKA
Hydrochloric Acid SCHEMBL1924351 0.83 HTR6 (0.34) GSK3BDYRK1APDE5AMAP4K1CHKA
SCHEMBL1924869 0.78 PTGS2 (0.35) PDE5AMEN1KMT2A
SCHEMBL1926741 0.78 ALDH1A1 (0.43) TYRO3MERTKAXLNPC1
SCHEMBL5102133 0.78 CYP11B2 (0.37) DYRK1ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1431293-B1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2011-06-08 EP disclosed
US-7211577-B2 Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO., LTD. (JP) 2007-05-01 US disclosed
US-7087606-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2006-08-08 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-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-04-21 US disclosed
US-6869954-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-22 US disclosed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US disclosed
EP-1431293-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2004-06-23 EP disclosed
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2004-01-01 US disclosed
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2003-06-26 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 (4 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 GSK3B 810/4885DYRK1A 2719/4885WNT1 140/4885
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 GSK3B 2663/4885DYRK1A 2872/4885WNT1 82/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 GSK3B 2636/4885DYRK1A 2578/4885WNT1 91/4885
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 GSK3B 1973/4885DYRK1A 2624/4885WNT1 116/4885

“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.