SCHEMBL4059607

SCHEMBL4059607

Cc1cc(Nc2nn(C(C)C)c(=O)c3c(N(C)C)cccc23)n[nH]1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.70
AURKB Q96GD4 3/20 0.70
SYK P43405 15/20 0.66

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
SCHEMBL5373398 0.88 AURKA (0.54) AURKAAURKBSYK
SCHEMBL4056297 0.82 AURKA (1.00) AURKAAURKBSYK
SCHEMBL4057028 0.79 SYK (0.92) AURKAAURKBSYK
SCHEMBL4057518 0.79 SYK (1.00) AURKAAURKBSYK
SCHEMBL4057413 0.79 SYK (0.69) AURKAAURKBSYK
SCHEMBL4056861 0.77 SYK (1.00) AURKAAURKBSYK
SCHEMBL4061646 0.77 SYK (1.00) AURKAAURKBSYK
SCHEMBL4057971 0.74 SYK (1.00) AURKAAURKBSYK
SCHEMBL4057432 0.74 SYK (0.75) AURKAAURKBSYK
SCHEMBL4058569 0.74 SYK (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 13 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
EP-1794148-B1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
EP-1863471-B1 USE OF ANGELIC ACID ESTERS AS AN ANTIPHLOGISTIC ACTIVE INGREDIENT AND ANTIPHLOGISTIC PREPARATIONS MILTITZ AROMATICS GMBH (DE) 2009-04-15 EP disclosed
EP-1863471-A1 USE OF ANGELIC ACID ESTERS AS AN ANTIPHLOGISTIC ACTIVE INGREDIENT AND ANTIPHLOGISTIC PREPARATIONS Miltitz Aromatics GmbH (DE) 2007-12-12 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
WO-2006097283-A1 USE OF ANGELIC ACID ESTERS AS AN ANTIPHLOGISTIC ACTIVE INGREDIENT AND ANTIPHLOGISTIC PREPARATIONS MILTITZ AROMATICS GMBH (DE) 2006-09-21 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 (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.