SCHEMBL2052345

SCHEMBL2052345

COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCN1CCC(CCO)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.73
PDGFRB P09619 4/20 0.58
FLT4 P35916 4/20 0.58
FLT3 P36888 3/20 0.58
AURKB Q96GD4 4/20 0.55
EGFR P00533 1/20 0.55
IGF1R P08069 1/20 0.55
FGFR1 P11362 1/20 0.55
SRC P12931 1/20 0.55
FGFR2 P21802 1/20 0.55
FGFR4 P22455 1/20 0.55
FGFR3 P22607 1/20 0.55
CDK2 P24941 1/20 0.55
KDR P35968 1/20 0.55
CSK P41240 1/20 0.55
JAK3 P52333 1/20 0.55
PTK2 Q05397 1/20 0.55
CSF1R P07333 2/20 0.52
KIT P10721 1/20 0.52
PDGFRA P16234 1/20 0.52

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
SCHEMBL2052990 0.95 AURKA (0.72) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL2052848 0.92 AURKA (0.71) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL2053562 0.92 AURKA (0.72) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL3429594 0.91 AURKA (0.64) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL2052692 0.91 AURKA (0.65) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL2049267 0.90 AURKA (0.63) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL2049094 0.90 AURKA (0.65) AURKAPDGFRBFLT4FLT3EGFR
SCHEMBL2049580 0.90 PDGFRB (0.73) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL2053534 0.89 AURKA (0.63) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL2049414 0.89 AURKA (0.67) AURKAPDGFRBFLT4FLT3AURKB

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 466/4885PDGFRB 1544/4885FLT4 2898/4885

“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.