SCHEMBL5585232

SCHEMBL5585232

Cc1cc(-c2cc(CN3CCNCC3)c(=O)n(Cc3c(Cl)cccc3Cl)n2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
PTPN11 Q06124 1/20 0.39
TNKS O95271 1/20 0.38
HTR2C P28335 1/20 0.37
CNR2 P34972 5/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GBA1 P04062 1/20 0.36
HTT P42858 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
SCHEMBL5584204 0.90 KMT2A (0.46) KMT2AMEN1MAPTTP53TNKS
SCHEMBL27624037 0.88 KMT2A (0.40) KMT2AMEN1MAPTTP53PTPN11
Hydrochloric Acid SCHEMBL1924623 0.87 LMNA (0.42) KMT2AMEN1TNKSHTR2CCNR2
SCHEMBL5584905 0.84 KMT2A (0.50) KMT2AMEN1MAPTTP53CNR2
SCHEMBL5584235 0.84 KMT2A (0.50) KMT2AMEN1MAPTTP53CNR2
SCHEMBL1925426 0.83 LMNA (0.36) MAPTTNKSCNR2LMNANPSR1
SCHEMBL5584388 0.83 ALDH1A1 (0.44) KMT2AMEN1MAPTTP53CNR2
Hydrochloric Acid SCHEMBL1926870 0.82 LMNA (0.38) MAPTTNKSCNR2LMNANPSR1
SCHEMBL5584395 0.82 KMT2A (0.41) KMT2AMEN1MAPTTP53TNKS
SCHEMBL6490288 0.81 KMT2A (0.48) KMT2AMEN1MAPTTP53CNR2

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 KMT2A 2387/4885MEN1 4001/4885MAPT 2720/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 KMT2A 3413/4885MEN1 4656/4885MAPT 4306/4885

“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.