SCHEMBL1925932

SCHEMBL1925932

CC(C)Cn1nc(-c2ccc(F)c(F)c2)cc(CN(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
MAOB P27338 1/20 0.34
HDAC1 Q13547 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MET P08581 1/20 0.34
CTSC P53634 1/20 0.33
GRIN2B Q13224 5/20 0.33
PGR P06401 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
GRIN1 Q05586 2/20 0.32
HTR2C P28335 1/20 0.32
HDAC3 O15379 1/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC2 Q92769 1/20 0.32

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 SCHEMBL1925345 0.99 NMT1 (0.37) NMT1CA1CA2HTR2ASLC6A4
SCHEMBL1925073 0.92 NMT1 (0.38) NMT1KMT2AMEN1GRIN2BTRPV3
SCHEMBL1925457 0.92 GRIN2B (0.37) NMT1HDAC1KMT2AMEN1CTSC
Hydrochloric Acid SCHEMBL1925805 0.91 GRIN2B (0.36) NMT1HDAC1KMT2AMEN1CTSC
Hydrochloric Acid SCHEMBL1925495 0.91 NMT1 (0.38) NMT1KMT2AMEN1GRIN2BTRPV3
SCHEMBL27538925 0.90 CTSC (0.34) NMT1HDAC1KMT2AMEN1CTSC
SCHEMBL27557889 0.90 NMT1 (0.39) NMT1HTR2ASLC6A4HDAC1KMT2A
SCHEMBL1925392 0.89 GRM2 (0.39) KMT2AMEN1
Hydrochloric Acid SCHEMBL27643514 0.89 NMT1 (0.38) NMT1HTR2ASLC6A4HDAC1KMT2A
Hydrochloric Acid SCHEMBL27541240 0.89 CTSC (0.34) NMT1HDAC1KMT2AMEN1CTSC

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 NMT1 2461/4885CA1 3882/4885CA2 2945/4885
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 NMT1 3671/4885CA1 1786/4885CA2 1269/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 NMT1 3727/4885CA1 2042/4885CA2 1263/4885
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 NMT1 3793/4885CA1 1940/4885CA2 1246/4885

“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.