SCHEMBL2051077

SCHEMBL2051077

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.58
CYP3A4 P08684 1/20 0.55
AURKB Q96GD4 8/20 0.54
PDGFRB P09619 6/20 0.50
FLT3 P36888 5/20 0.50
KIT P10721 3/20 0.50
PDGFRA P16234 3/20 0.50
EGFR P00533 3/20 0.50
KDR P35968 3/20 0.50
RIPK2 O43353 2/20 0.50
LCK P06239 2/20 0.50
LYN P07948 2/20 0.50
RET P07949 2/20 0.50
HCK P08631 2/20 0.50
CSNK2A2 P19784 2/20 0.50
MST1R Q04912 2/20 0.50
MAP2K5 Q13163 2/20 0.50
AURKC Q9UQB9 2/20 0.50
MAP4K5 Q9Y4K4 2/20 0.50
FYN P06241 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
SCHEMBL2052816 0.98 AURKA (0.58) AURKACYP3A4AURKBPDGFRBFLT3
SCHEMBL2049373 0.96 AURKA (0.58) AURKACYP3A4AURKBPDGFRBFLT3
SCHEMBL3426520 0.94 AURKA (0.58) AURKACYP3A4AURKBPDGFRBFLT3
SCHEMBL3431132 0.92 AURKA (0.64) AURKACYP3A4AURKBPDGFRBFLT3
SCHEMBL2051829 0.92 AURKA (0.68) AURKACYP3A4AURKBPDGFRBFLT3
SCHEMBL2051259 0.91 CYP3A4 (0.54) AURKACYP3A4AURKBPDGFRBFLT3
SCHEMBL3426400 0.90 AURKA (0.55) AURKACYP3A4AURKBPDGFRBFLT3
SCHEMBL3429960 0.90 CYP3A4 (0.58) AURKACYP3A4AURKBPDGFRBFLT3
SCHEMBL5133680 0.90 AURKA (0.58) AURKACYP3A4AURKBPDGFRBFLT3
SCHEMBL2049366 0.88 AURKA (0.64) AURKACYP3A4AURKBPDGFRBFLT3

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 9 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
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 466/4885CYP3A4 624/4885AURKB 369/4885

“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.