SCHEMBL2459129

SCHEMBL2459129

O=C(O)c1ccc2c(=O)[nH][nH]c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.54
CSNK2A1 P68400 3/20 0.47
KDM4E B2RXH2 4/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ACHE P22303 1/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
CA12 O43570 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL3923103 0.84 CHEK1 (0.53) PARP1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL2671395 0.84 PARP1 (0.56) PARP1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL31066592 0.84 PARP1 (0.56) PARP1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL4719979 0.83 PARP1 (0.41) PARP1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL6594451 0.82 PARP1 (0.46) PARP1KDM4EALDH1A1TSHRGAA
SCHEMBL11412012 0.81 ATM (0.53) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL17254441 0.77 TSHR (0.58) PARP1KDM4ECA1CA2ALDH1A1
SCHEMBL31279968 0.77 TSHR (0.58) PARP1KDM4ECA1CA2ALDH1A1
SCHEMBL29399562 0.77 TSHR (0.58) PARP1KDM4ECA1CA2ALDH1A1
SCHEMBL7101140 0.76 PARP1 (0.51) PARP1CSNK2A1KDM4ECSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370366-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2019-08-06 US disclosed
US-10370366-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2019-08-06 US disclosed
US-20180093976-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2018-04-05 US disclosed
US-20180093976-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2018-04-05 US disclosed
US-9783529-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-10-10 US disclosed
US-9783529-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-10-10 US disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
EP-2968323-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Flatley Discovery Lab (US) 2016-01-20 EP disclosed
US-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2015-01-01 US disclosed
US-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2015-01-01 US disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2007107469-A1 METHODS OF INHIBITING BTK AND SYK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
US-20070219195-A1 e.g. 4-(5-Methyl-2H-pyrazole-3-ylamino)-phenyl-2H-phthalazin-1-one2-Phenyl-2,3-dihydro-phthalazine-1,4-dione; tyrosine kinase inhibitor; antiinflammatory agent; asthma, rheumatoid arthritis, systemic lupus erythematosus or multiple sclerosis ROCHE PALO ALTO LLC 2007-09-20 US disclosed
EP-1794148-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-13 EP disclosed
US-7226923-B2 Phthalazinone derivatives HOFFMAN-LA ROCHE INC. (US) 2007-06-05 US disclosed
US-20060089359-A1 Phthalazinone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-04-27 US disclosed
WO-2006032518-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
US-4665181-A Anti-inflammatory phthalazinones PENNWALT CORPORATION (US) 1987-05-12 US disclosed
EP-0164593-A1 Anti-inflammatory phthalazinones FISONS CORPORATION (US) 1985-12-18 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 (6 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-20060089359-A1 Phthalazinone derivatives SDHA, SDHB, CYP3A5 PARP1 2784/4885CSNK2A1 1177/4885KDM4E 3447/4885
US-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, PNPO PARP1 3414/4885CSNK2A1 3171/4885KDM4E 3610/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 PARP1 1180/4885CSNK2A1 60/4885KDM4E 761/4885
US-20180093976-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, PNPO PARP1 3414/4885CSNK2A1 3171/4885KDM4E 3610/4885
US-20070219195-A1 e.g. 4-(5-Methyl-2H-pyrazole-3-ylamino)-phenyl-2H-phthalazin-1-one2-Phenyl-2,3-dihydro-phthalazine-1,4-dione; tyrosine kinase inhibitor; antiinflammatory agent; asthma, rheumatoid arthritis, systemic lupus erythematosus or multiple sclerosis SYK, BTK, LCK PARP1 1716/4885CSNK2A1 462/4885KDM4E 217/4885
US-10370366-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis CFTR, SLC26A4, PNPO PARP1 3414/4885CSNK2A1 3171/4885KDM4E 3610/4885

“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.