SCHEMBL4065644

SCHEMBL4065644

CC(C)(C)c1cccc(-n2nc(Br)c3ccccc3c2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
CTSK P43235 1/20 0.44
GAA P10253 5/20 0.43
AURKA O14965 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
STAT1 P42224 2/20 0.40
BCAT1 P54687 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.39
NOTUM Q6P988 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 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
SCHEMBL4057166 0.86 KMT2A (0.63) MEN1MAPTMAPK1KMT2AALDH1A1
SCHEMBL4055423 0.85 RAB9A (0.55) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL4060721 0.79 BCAT1 (0.58) MEN1MAPTMAPK1KMT2AALDH1A1
SCHEMBL4062917 0.78 ALDH1A1 (0.45) MEN1MAPTMAPK1KMT2AALDH1A1
SCHEMBL4062037 0.73 NPC1 (0.48) MEN1MAPTMAPK1KMT2AALDH1A1
SCHEMBL4056180 0.72 RAB9A (0.53) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL4060439 0.71 GAA (0.68) ALDH1A1LMNANPSR1RAB9ANPC1
SCHEMBL4063456 0.71 RAB9A (0.55) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL4059604 0.70 RAB9A (0.55) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL4063191 0.70 KMT2A (0.70) MEN1MAPTMAPK1KMT2AALDH1A1

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 7 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
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 657/4885MAPT 1732/4885MAPK1 3671/4885
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 3550/4885MAPT 2762/4885MAPK1 153/4885

“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.