SCHEMBL4055408

SCHEMBL4055408

CC(C)(C)c1ccc(-n2[nH]c(=O)c3cc([N+](=O)[O-])ccc3c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
POLB P06746 2/20 0.60
PLEC Q15149 1/20 0.60
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44
PARP1 P09874 1/20 0.44
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPBWR1 P48145 1/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MPL P40238 1/20 0.40
DAO P14920 1/20 0.40
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
CSNK1D P48730 1/20 0.39

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
SCHEMBL4064440 0.95 MEN1 (0.60) MEN1KMT2APOLBPLECCA1
SCHEMBL8834687 0.76 KDM4E (0.53) MEN1KMT2APOLBPLECCA1
SCHEMBL265592 0.76 MEN1 (1.00) MEN1KMT2APOLBPLECPARP1
SCHEMBL4062521 0.75 NPC1 (0.50) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL20944920 0.74 TSHR (0.43) MEN1KMT2APOLBPLECALDH1A1
SCHEMBL4064094 0.72 NPC1 (0.47) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL20945017 0.72 TSHR (0.41) MEN1KMT2APOLBPLECMPL
SCHEMBL20945221 0.71 TSHR (0.40) MEN1KMT2APOLBPLECMAPT
SCHEMBL3909447 0.69 MEN1 (0.59) MEN1KMT2APOLBPLECPARP1
SCHEMBL2547220 0.69 MEN1 (0.59) MEN1KMT2APOLBPLECPARP1

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 MEN1 657/4885KMT2A 2955/4885POLB 819/4885
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 MEN1 3550/4885KMT2A 410/4885POLB 2152/4885

“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.