SCHEMBL4055423

SCHEMBL4055423

CC(C)(C)c1ccc(-n2nc(Br)c3ccccc3c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
AURKA O14965 1/20 0.53
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PMM2 O15305 1/20 0.47
MPI P34949 1/20 0.47
PHOSPHO1 Q8TCT1 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.43
BCAT1 P54687 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SYK P43405 1/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL4065644 0.85 MEN1 (0.48) RAB9ANPC1AURKAGAASMN1; SMN2
SCHEMBL4062037 0.85 NPC1 (0.48) RAB9ANPC1AURKAGAASMN1; SMN2
SCHEMBL4060721 0.82 BCAT1 (0.58) RAB9ANPC1AURKAGAASMN1; SMN2
SCHEMBL4063456 0.80 RAB9A (0.55) RAB9ANPC1GAASMN1; SMN2NPSR1
SCHEMBL4060439 0.80 GAA (0.68) RAB9ANPC1AURKAGAASMN1; SMN2
SCHEMBL4059604 0.79 RAB9A (0.55) RAB9ANPC1GAASMN1; SMN2NPSR1
SCHEMBL4062917 0.79 ALDH1A1 (0.45) RAB9ANPC1AURKAGAASMN1; SMN2
SCHEMBL4064094 0.79 NPC1 (0.47) RAB9ANPC1AURKASMN1; SMN2NPSR1
SCHEMBL4056180 0.78 RAB9A (0.53) RAB9ANPC1GAASMN1; SMN2NPSR1
SCHEMBL4069247 0.78 HTT (0.53) RAB9ANPC1GAASMN1; SMN2HTT

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 RAB9A 2055/4885NPC1 549/4885AURKA 1585/4885
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 RAB9A 3853/4885NPC1 4812/4885AURKA 704/4885

“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.