SCHEMBL4064136

SCHEMBL4064136

Cc1cc(Nc2nn(-c3ccc(C(C)(C)C)cc3)c(=O)c3cc([N+](=O)[O-])ccc23)n(C(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.46
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SYK P43405 1/20 0.37
MAPK1 P28482 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1G2 P78368 1/20 0.35
MAPK14 Q16539 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4057836 0.96 AURKA (0.46) AURKAMAPTSMN1; SMN2LMNANPC1
SCHEMBL4057525 0.82 AURKA (0.52) AURKAMAPTSMN1; SMN2LMNANPC1
SCHEMBL4057181 0.81 AURKA (0.48) AURKAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4056007 0.81 AURKA (0.48) AURKAMAPTSMN1; SMN2NPC1MEN1
SCHEMBL4056175 0.78 AURKA (0.52) AURKAMAPTSMN1; SMN2LMNANPC1
SCHEMBL4064094 0.76 NPC1 (0.47) AURKAMAPTSMN1; SMN2LMNANPC1
SCHEMBL4058423 0.75 AURKA (0.59) AURKAMAPTSMN1; SMN2LMNANPC1
SCHEMBL4062521 0.74 NPC1 (0.50) AURKAMAPTSMN1; SMN2LMNANPC1
SCHEMBL27696140 0.69 MAPT (0.34) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL27696122 0.69 MAPT (0.34) MAPTSMN1; SMN2LMNAMEN1KMT2A

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 AURKA 1585/4885MAPT 1732/4885SMN1; SMN2 1606/4885
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 AURKA 704/4885MAPT 2762/4885SMN1; SMN2 4074/4885

“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.