SCHEMBL4056896

SCHEMBL4056896

CC(=O)Nc1ccc(Cn2nc(Nc3cc[nH]n3)c3ccccc3c2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.73
AURKB Q96GD4 13/20 0.73
SYK P43405 3/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL4057428 0.85 AURKA (1.00) AURKAAURKBSYK
SCHEMBL4066956 0.77 AURKA (0.62) AURKAAURKBTP53KDM4EMAPT
SCHEMBL4059036 0.70 AURKA (1.00) AURKAAURKBSYK
SCHEMBL4057805 0.69 AURKA (1.00) AURKAAURKBSYK
SCHEMBL4056619 0.69 AURKA (1.00) AURKAAURKBSYK
SCHEMBL4055721 0.69 AURKA (0.84) AURKAAURKBSYK
SCHEMBL12430593 0.67 AURKA (0.73) AURKAAURKBKDM4EMAPT
SCHEMBL4056738 0.67 AURKA (0.76) AURKAAURKBSYK
SCHEMBL4055241 0.67 AURKA (0.70) AURKAAURKBSYKKDM4E
SCHEMBL3963930 0.66 KMT2A (0.43) AURKAAURKBTP53KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016130460-A9 PHTHALAZINONE PYRAZOLE DERIVATIVES FOR TREATING RETINAL DEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2016-09-15 WO claimed
WO-2016130460-A2 PHTHALAZINONE PYRAZOLE DERIVATIVES FOR TREATING RETINAL DEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2016-08-18 WO claimed
CN-101027290-B 2, 3-phthalazinone derivatives as AURORA-a kinase inhibitors HOFFMANN LA ROCHE 2010-05-12 CN claimed
EP-1794148-B1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-15 EP claimed
CN-101027290-A Novel 2,3-phthalazinone derivatives, as AURORA-A kinase inhibitors HOFFMANN LA ROCHE (CH) 2007-08-29 CN claimed
US-7226923-B2 Phthalazinone derivatives HOFFMAN-LA ROCHE INC. (US) 2007-06-05 US claimed
US-20060089359-A1 Phthalazinone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-04-27 US claimed
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
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 (1 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 1585/4885AURKB 1484/4885SYK 3513/4885

“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.