SCHEMBL1924477

SCHEMBL1924477

COc1ccc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n(CC3CCCC3)n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
GPR119 Q8TDV5 3/20 0.39
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
HTR2A P28223 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CFTR P13569 1/20 0.38
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
GALR2 O43603 1/20 0.37
GALR1 P47211 1/20 0.37
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37
BACE1 P56817 1/20 0.37
PDE4B Q07343 1/20 0.37
TGFBR1 P36897 1/20 0.36
SMPD3 Q9NY59 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
SCHEMBL1925296 0.97 GPR119 (0.40) ALDH1A1MAPK1GPR119HTTMEN1
SCHEMBL1925219 0.88 GPR119 (0.38) GPR119HTTMEN1KMT2ACFTR
SCHEMBL1924689 0.87 IDO1 (0.40) ALDH1A1GPR119MEN1KMT2ACFTR
SCHEMBL1925257 0.86 ALDH1A1 (0.46) ALDH1A1MAPK1HTR2CMEN1KMT2A
SCHEMBL1924642 0.86 VEGFA (0.44) ALDH1A1MAPK1MEN1KMT2ACFTR
Hydrochloric Acid SCHEMBL1926024 0.85 ALDH1A1 (0.46) ALDH1A1MAPK1HTR2CMEN1KMT2A
SCHEMBL1926678 0.84 ALDH1A1 (0.45) ALDH1A1MAPK1HTR2CMEN1KMT2A
SCHEMBL1925196 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1SLC6A4PTGIRPTGDR
SCHEMBL1927005 0.83 IDO1 (0.40) ALDH1A1HTR2AMEN1KMT2ACFTR
SCHEMBL1926741 0.83 ALDH1A1 (0.43) ALDH1A1MAPK1PTGIRPTGDRPDE4B

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 ALDH1A1 434/4885MAPK1 246/4885GPR119 960/4885
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 ALDH1A1 164/4885MAPK1 325/4885GPR119 1614/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 ALDH1A1 174/4885MAPK1 310/4885GPR119 1496/4885
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 ALDH1A1 244/4885MAPK1 580/4885GPR119 785/4885

“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.