SCHEMBL4063191

SCHEMBL4063191

O=c1c2ccccc2c(O)nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
MEN1 O00255 3/20 0.70
MAPT P10636 2/20 0.70
MAPK1 P28482 1/20 0.70
ALDH1A1 P00352 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
LMNA P02545 2/20 0.62
PMM2 O15305 1/20 0.50
MPI P34949 1/20 0.50
PHOSPHO1 Q8TCT1 1/20 0.50
CTSK P43235 3/20 0.49
POLB P06746 3/20 0.48
CNR2 P34972 1/20 0.47
NPY5R Q15761 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4057166 0.84 KMT2A (0.63) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL4483384 0.83 POLB (0.63) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL10639700 0.81 KMT2A (0.54) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL9229195 0.76 NPSR1 (1.00) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL11274830 0.76 KMT2A (0.55) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL9525617 0.76 POLB (0.71) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL11519772 0.73 KMT2A (0.55) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL10861856 0.73 KMT2A (0.56) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL4061255 0.72 SYK (0.81)
SCHEMBL9169450 0.72 NPSR1 (0.66) KMT2AMEN1MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KMT2A 2955/4885MEN1 657/4885MAPT 1732/4885
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 KMT2A 410/4885MEN1 3550/4885MAPT 2762/4885

“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.