SCHEMBL2048938

SCHEMBL2048938

CCCN(CCO)CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.69
AURKB Q96GD4 9/20 0.63
KDR P35968 6/20 0.63
PDGFRB P09619 5/20 0.63
EGFR P00533 4/20 0.63
FLT4 P35916 4/20 0.63
FLT3 P36888 3/20 0.63
PDGFRA P16234 3/20 0.63
RIPK2 O43353 2/20 0.63
LCK P06239 2/20 0.63
LYN P07948 2/20 0.63
RET P07949 2/20 0.63
HCK P08631 2/20 0.63
KIT P10721 2/20 0.63
CSNK2A2 P19784 2/20 0.63
MST1R Q04912 2/20 0.63
MAP2K5 Q13163 2/20 0.63
AURKC Q9UQB9 2/20 0.63
MAP4K5 Q9Y4K4 2/20 0.63
FLT1 P17948 2/20 0.63

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
SCHEMBL2053538 0.96 AURKA (0.69) AURKAAURKBKDRPDGFRBEGFR
SCHEMBL2049852 0.94 PDGFRB (0.63) AURKAAURKBKDRPDGFRBEGFR
SCHEMBL2052351 0.91 AURKA (0.65) AURKAAURKBKDRPDGFRBEGFR
SCHEMBL5133320 0.90 FLT3 (0.62) AURKAAURKBKDRPDGFRBEGFR
SCHEMBL2049092 0.89 FLT4 (0.78) AURKAAURKBKDRPDGFRBEGFR
SCHEMBL6027595 0.89 AURKA (0.71) AURKAAURKBKDRPDGFRBEGFR
SCHEMBL2051829 0.89 AURKA (0.68) AURKAAURKBKDRPDGFRBEGFR
SCHEMBL3429130 0.89 AURKA (0.57) AURKAAURKBKDRPDGFRBEGFR
SCHEMBL5039096 0.88 AURKA (0.72) AURKAAURKBKDRPDGFRBEGFR
SCHEMBL3427469 0.88 AURKA (0.66) AURKAAURKBKDRPDGFRBEGFR

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 369/4885KDR 3635/4885

“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.