SCHEMBL4055439

SCHEMBL4055439

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.42
CSNK2A1 P68400 4/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 1/20 0.40
DYRK1B Q9Y463 1/20 0.39
MAP2K4 P45985 5/20 0.38
MAPK1 P28482 3/20 0.38
MAPK6 Q16659 3/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
PTPN1 P18031 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
SCHEMBL4719979 0.94 PARP1 (0.41) PARP1CSNK2A1KDM4ERECQLDYRK1B
SCHEMBL2463004 0.81 MAP2K4 (0.44) PARP1CSNK2A1KDM4ERECQLMAP2K4
SCHEMBL31523324 0.80 MAP2K4 (0.50) PARP1CSNK2A1KDM4EDYRK1BMAP2K4
SCHEMBL9818232 0.80 MAP2K4 (0.50) PARP1CSNK2A1KDM4EDYRK1BMAP2K4
SCHEMBL4719982 0.80 ALDH1A1 (0.40) PARP1CSNK2A1KDM4EDYRK1BMAPK1
SCHEMBL10702355 0.79 TSHR (0.42) PARP1KDM4ERECQLALDH1A1THRB
SCHEMBL10508693 0.79 PARP1 (0.48) PARP1CSNK2A1KDM4ERECQLMAP2K4
SCHEMBL4058183 0.79 KDM4E (0.55) PARP1KDM4EMAPK1ALDH1A1HPGD
SCHEMBL2462240 0.77 PARP1 (0.45) PARP1CSNK2A1KDM4ERECQLMAP2K4
SCHEMBL2463881 0.77 PARP1 (0.45) PARP1CSNK2A1KDM4ERECQLMAP2K4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221599-A1 PHTHALAZINONE PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN-LA ROCHE, INC. 2009-09-03 US disclosed
US-20090221599-A1 PHTHALAZINONE PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN-LA ROCHE, INC. 2009-09-03 US disclosed
US-20090221599-A1 PHTHALAZINONE PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN-LA ROCHE, INC. 2009-09-03 US disclosed
EP-1794148-B1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7501410-B2 Methods of inhibiting BTK and SYK protein kinases ROCHE PALO ALTO LLC (US) 2009-03-10 US disclosed
EP-1999127-A1 PHTHALAZINONE PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-10 EP disclosed
EP-1998777-A1 METHODS OF INHIBITING BTK AND SYK PROTEIN KINASES F. Hoffmann-La Roche AG (CH) 2008-12-10 EP disclosed
WO-2007107469-A1 METHODS OF INHIBITING BTK AND SYK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
WO-2007107298-A1 PHTHALAZINONE PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS 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

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-20060089359-A1 Phthalazinone derivatives SDHA, SDHB, CYP3A5 PARP1 2784/4885CSNK2A1 1177/4885KDM4E 3447/4885
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-20090221599-A1 PHTHALAZINONE PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A5, CYP3A43, CYP51A1 PARP1 1043/4885CSNK2A1 1872/4885KDM4E 3088/4885

“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.