SCHEMBL4060936

SCHEMBL4060936

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.70
PLA2G10 O15496 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ADORA3 P0DMS8 2/20 0.50
STAT1 P42224 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
BCAT1 P54687 1/20 0.46
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RORC P51449 3/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
RARG P13631 2/20 0.43

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
SCHEMBL4712003 0.90 HTT (0.62) HTTPLA2G10NPSR1L3MBTL1NPC1
SCHEMBL4060721 0.86 BCAT1 (0.58) HTTNPSR1NPC1RAB9AADORA3
SCHEMBL4069247 0.83 HTT (0.53) HTTPLA2G10NPC1RAB9AADORA3
SCHEMBL4063456 0.80 RAB9A (0.55) HTTNPSR1L3MBTL1NPC1RAB9A
SCHEMBL4060439 0.80 GAA (0.68) HTTNPSR1L3MBTL1NPC1RAB9A
SCHEMBL4065820 0.79 RAB9A (0.51) HTTNPSR1L3MBTL1NPC1RAB9A
SCHEMBL4056180 0.78 RAB9A (0.53) HTTNPSR1L3MBTL1NPC1RAB9A
SCHEMBL4055227 0.78 KDM4E (0.60) HTTNPC1RAB9AADORA3HPGD
SCHEMBL4064996 0.77 RAB9A (0.49) HTTNPSR1L3MBTL1NPC1RAB9A
SCHEMBL4055423 0.77 RAB9A (0.55) HTTNPSR1L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101027290-B 2, 3-phthalazinone derivatives as AURORA-a kinase inhibitors HOFFMANN LA ROCHE 2010-05-12 CN disclosed
EP-1794148-B1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
CN-101405001-A Methods of inhibiting BTK and SYK protein kinases HOFFMANN LA ROCHE (CH) 2009-04-08 CN 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
CN-101027290-A Novel 2,3-phthalazinone derivatives, as AURORA-A kinase inhibitors HOFFMANN LA ROCHE (CH) 2007-08-29 CN 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 HTT 1808/4885PLA2G10 3775/4885NPSR1 3270/4885
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 HTT 3791/4885PLA2G10 1424/4885NPSR1 2725/4885

“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.