SCHEMBL4064166

SCHEMBL4064166

Cc1cc(Nc2nn(-c3ccncc3)c(=O)c3ccccc23)n[nH]1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.85
SYK P43405 4/20 0.78
AURKB Q96GD4 9/20 0.69

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
SCHEMBL4060475 0.92 AURKA (1.00) AURKASYKAURKB
SCHEMBL4058178 0.90 AURKA (1.00) AURKASYKAURKB
SCHEMBL4063395 0.88 AURKA (1.00) AURKASYKAURKB
SCHEMBL4057120 0.88 AURKA (1.00) AURKASYKAURKB
SCHEMBL4056137 0.88 AURKA (0.87) AURKASYKAURKB
SCHEMBL4058794 0.88 AURKA (0.83) AURKASYKAURKB
SCHEMBL4058817 0.87 SYK (1.00) AURKASYKAURKB
SCHEMBL4057101 0.87 AURKA (0.85) AURKASYKAURKB
SCHEMBL4057846 0.86 AURKA (1.00) AURKASYKAURKB
SCHEMBL4057976 0.86 AURKA (1.00) AURKASYKAURKB

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 20 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
EP-1794148-B1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-15 EP claimed
EP-1794148-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-13 EP 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
WO-2006032518-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO claimed
WO-2016130460-A2 PHTHALAZINONE PYRAZOLE DERIVATIVES FOR TREATING RETINAL DEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2016-08-18 WO disclosed
EP-1912679-A4 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2009-07-29 EP disclosed
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
EP-1912679-A2 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-23 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
WO-2006138380-A2 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-12-28 WO 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 AURKA 1585/4885SYK 3513/4885AURKB 1484/4885
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 AURKA 704/4885SYK 1/4885AURKB 599/4885

“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.