SCHEMBL4056717

SCHEMBL4056717

O=c1[nH]nc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.54
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PRMT5 O14744 1/20 0.47
PARP1 P09874 3/20 0.45
POLB P06746 4/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PLEC Q15149 1/20 0.41

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
SCHEMBL342380 0.79 KDM4E (0.48) KDM4EALDH1A1GAAMAPTALOX15
SCHEMBL30071547 0.79 KDM4E (0.48) KDM4EALDH1A1GAAMAPTALOX15
Hydrochloric Acid SCHEMBL28220934 0.78 KDM4E (0.47) KDM4EALDH1A1GAAMAPTALOX15
Naphthalene SCHEMBL28421339 0.77 AR (0.50) ARNPSR1PARP1POLBKDM4E
SCHEMBL6556923 0.73 HPRT1 (0.45) NPSR1LMNAKDM4EALDH1A1MAPT
SCHEMBL3790051 0.71 MAPT (0.44) NPSR1PARP1POLBLMNAKDM4E
SCHEMBL30856584 0.71 MAPT (0.44) NPSR1PARP1POLBLMNAKDM4E
Carbamic Acid SCHEMBL1861901 0.71 KDM4E (0.45) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL6556918 0.71 PIM1 (0.43) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL28658825 0.71 KMT2A (0.55) NPSR1POLBKDM4EMAPTMEN1

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 17 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
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-1998777-A1 METHODS OF INHIBITING BTK AND SYK PROTEIN KINASES F. Hoffmann-La Roche AG (CH) 2008-12-10 EP 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-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US 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
EP-1664023-A1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP 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
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 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-20060089359-A1 Phthalazinone derivatives SDHA, SDHB, CYP3A5 AR 645/4885ATM 3475/4885NPSR1 3270/4885
US-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 AR 3282/4885ATM 2348/4885NPSR1 2765/4885
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 AR 3818/4885ATM 1014/4885NPSR1 2725/4885
US-20090221599-A1 PHTHALAZINONE PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A5, CYP3A43, CYP51A1 AR 1225/4885ATM 3786/4885NPSR1 3899/4885

“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.