SCHEMBL2051829

SCHEMBL2051829

CCCN(CCO)CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.68
AURKB Q96GD4 7/20 0.63
EGFR P00533 3/20 0.55
KDR P35968 3/20 0.55
BRAF P15056 2/20 0.55
PDGFRB P09619 4/20 0.53
CSF1R P07333 2/20 0.53
KIT P10721 2/20 0.53
PDGFRA P16234 2/20 0.53
FLT4 P35916 3/20 0.50
FLT3 P36888 2/20 0.50
PLK4 O00444 1/20 0.50
CIT O14578 1/20 0.50
MUSK O15146 1/20 0.50
EPHB6 O15197 1/20 0.50
MAP3K7 O43318 1/20 0.50
RIPK2 O43353 1/20 0.50
STK10 O94804 1/20 0.50
MAP4K4 O95819 1/20 0.50
CHEK2 O96017 1/20 0.50

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
SCHEMBL3431132 0.97 AURKA (0.64) AURKAAURKBEGFRKDRBRAF
SCHEMBL2053257 0.96 AURKA (0.68) AURKAAURKBEGFRKDRBRAF
SCHEMBL3429588 0.94 AURKA (0.60) AURKAAURKBEGFRKDRBRAF
SCHEMBL2049366 0.93 AURKA (0.64) AURKAAURKBEGFRKDRBRAF
SCHEMBL2049315 0.93 AURKA (0.59) AURKAAURKBEGFRKDRBRAF
SCHEMBL2051077 0.92 AURKA (0.58) AURKAAURKBEGFRKDRBRAF
SCHEMBL5133680 0.92 AURKA (0.58) AURKAAURKBEGFRKDRBRAF
SCHEMBL2052816 0.92 AURKA (0.58) AURKAAURKBEGFRKDRBRAF
SCHEMBL2054386 0.91 AURKA (0.65) AURKAAURKBEGFRPDGFRBCSF1R
SCHEMBL3429471 0.90 AURKA (0.60) AURKAAURKBEGFRKDRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4709139-B2 2011-06-22 JP claimed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US claimed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP claimed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US claimed
JP-2006523660-A 2006-10-19 JP claimed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP claimed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO claimed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 AURKA 466/4885AURKB 369/4885EGFR 1800/4885

“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.