SCHEMBL4057322

SCHEMBL4057322

COc1cccc(C(=O)Cn2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 1.00
AURKB Q96GD4 13/20 1.00
SYK P43405 3/20 0.79

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
SCHEMBL4056160 0.91 AURKA (1.00) AURKAAURKBSYK
SCHEMBL4061131 0.89 AURKA (1.00) AURKAAURKBSYK
SCHEMBL4057531 0.83 AURKA (1.00) AURKAAURKBSYK
SCHEMBL4060163 0.82 AURKA (0.81) AURKAAURKBSYK
SCHEMBL4057597 0.81 AURKA (1.00) AURKAAURKBSYK
SCHEMBL4058482 0.81 AURKA (0.74) AURKAAURKBSYK
SCHEMBL4057805 0.79 AURKA (1.00) AURKAAURKBSYK
SCHEMBL4065737 0.77 AURKA (0.80) AURKAAURKBSYK
SCHEMBL4057126 0.76 AURKA (0.82) AURKAAURKBSYK
SCHEMBL4059036 0.74 AURKA (1.00) AURKAAURKBSYK

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 16 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
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-2016130460-A2 PHTHALAZINONE PYRAZOLE DERIVATIVES FOR TREATING RETINAL DEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2016-08-18 WO disclosed
EP-1268421-B1 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-05-06 EP disclosed
EP-1794148-B1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-15 EP 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
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US disclosed
EP-1268421-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
WO-2001074773-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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 1585/4885AURKB 1484/4885SYK 3513/4885
US-20020006928-A1 Phenyl-substituted indoles and indazoles IDO1, IDO2, AADAC AURKA 174/4885AURKB 147/4885SYK 2203/4885

“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.