SCHEMBL4428979

SCHEMBL4428979

CCOC(=O)c1cc(-c2cccnc2)n[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.53
MMP2 P08253 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
DCTPP1 Q9H773 1/20 0.47
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL4436705 0.87 KDM4E (0.55) RAB9ANPC1ALDH1A1KDM4EKMT2A
SCHEMBL1750739 0.86 CASP1 (0.60) MMP2MMP13MMP14RAB9ANPC1
SCHEMBL11248675 0.84 MAPT (0.45) RAB9ANPC1ALDH1A1CYP2C19CYP2C9
SCHEMBL1816625 0.84 ALPL (0.64) ALKMMP2MMP13MMP14RAB9A
SCHEMBL11242562 0.81 CDK5 (0.43) MMP13RAB9ANPC1ALDH1A1CDC7
SCHEMBL4853168 0.80 ALDH1A1 (0.58) ALKALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20471292 0.80 ALPL (0.70) RAB9ANPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL7275274 0.80 ALPL (0.53) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL11253347 0.80 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL11239797 0.80 POLB (0.44) RAB9ANPC1ALDH1A1KDM4EKMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1611121-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS Aventis Pharma S.A. (FR) 2006-01-04 EP disclosed
EP-1581505-A1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2005-10-05 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed
US-20040176377-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-09-09 US disclosed
WO-2004046117-A1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-03 WO disclosed
WO-2004046130-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-06-03 WO disclosed
US-4346221-A Preparation of 4-amino-6-(pyridinyl)-3(2H)-pyridazinones from 6-(pyridinyl)-3(2H)-pyridazinones STERLING DRUG INC. (US) 1982-08-24 US disclosed
US-4338446-A Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates STERLING DRUG INC. (US) 1982-07-06 US disclosed
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 US disclosed
US-4304776-A 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics STERLING DRUG INC. (US) 1981-12-08 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 (3 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-20040176377-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them ADRA2C, ADRA1A, ADRA1B ALK 405/4885MMP2 4581/4885MMP13 4078/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A ALK 176/4885MMP2 3980/4885MMP13 3817/4885
US-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 ALK 576/4885MMP2 19/4885MMP13 184/4885

“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.