SCHEMBL1925682

SCHEMBL1925682

COc1ccc(-c2cc(C(=O)O)c(=O)n(C/C=C/c3ccc(Cl)cc3)n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.37
MDM2 Q00987 2/20 0.37
DHODH Q02127 1/20 0.37
MMP1 P03956 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
APP P05067 1/20 0.35
PTGES O14684 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1925684 1.00 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL1925170 0.92 ALDH1A1 (0.39) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL1925169 0.92 ALDH1A1 (0.39) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7730100 0.92 PDE4A (0.45) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7730103 0.92 PDE4A (0.45) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7730084 0.91 KMO (0.42) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7730083 0.91 KMO (0.42) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL1924451 0.87 CNR2 (0.39) PDE4BALDH1A1TP53TSHRKDM4E
SCHEMBL1924453 0.87 CNR2 (0.39) PDE4BALDH1A1TP53TSHRKDM4E
SCHEMBL1926375 0.86 PTGES (0.37) PDE4BPDE4APDE4CPDE4DALDH1A1

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 13 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
US-6403586-B1 Pyridazine derivatives and drugs containing the same as the active ingredient KOWA CO., LTD. (JP) 2002-06-11 US disclosed
EP-1061077-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-12-20 EP 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 PDE4B 2058/4885PDE4A 1624/4885PDE4C 3148/4885
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PDE4B 3593/4885PDE4A 2949/4885PDE4C 4231/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PDE4B 3545/4885PDE4A 2886/4885PDE4C 4186/4885
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PDE4B 2371/4885PDE4A 1787/4885PDE4C 3546/4885

“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.