SCHEMBL4059974

SCHEMBL4059974

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
ALOX5 P09917 1/20 0.48
GAA P10253 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.39
BCAT1 P54687 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL4055423 0.81 RAB9A (0.55) CA12CA1CA2CA9RAB9A
SCHEMBL4059979 0.79 CA12 (0.49) CA12CA1CA2CA9RAB9A
SCHEMBL4060721 0.78 BCAT1 (0.58) RAB9ANPC1GAASMN1; SMN2HTT
SCHEMBL4063456 0.76 RAB9A (0.55) CA12CA1CA2CA9RAB9A
SCHEMBL4060439 0.76 GAA (0.68) RAB9ANPC1GAASMN1; SMN2HTT
SCHEMBL4059604 0.75 RAB9A (0.55) CA12CA1CA2CA9RAB9A
SCHEMBL4056180 0.74 RAB9A (0.53) CA12CA1CA2CA9RAB9A
SCHEMBL4060349 0.74 NPC1 (0.71) CA12CA1CA2CA9RAB9A
SCHEMBL4064996 0.73 RAB9A (0.49) CA12CA1CA2CA9RAB9A
SCHEMBL4058580 0.73 AURKA (0.75) AURKA

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 5 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
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
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

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 CA12 3879/4885CA1 4061/4885CA2 3515/4885
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 CA12 4804/4885CA1 4400/4885CA2 2323/4885

“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.