SCHEMBL2049232

SCHEMBL2049232

O=C(Cn1cc(Nc2ncnc3cc(OCCCN4CCC(CO)CC4)ccc23)cn1)Nc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.62
AURKB Q96GD4 7/20 0.59
KDR P35968 7/20 0.59
EGFR P00533 3/20 0.59
IGF1R P08069 1/20 0.59
FGFR1 P11362 1/20 0.59
SRC P12931 1/20 0.59
FGFR2 P21802 1/20 0.59
FGFR4 P22455 1/20 0.59
FGFR3 P22607 1/20 0.59
CDK2 P24941 1/20 0.59
CSK P41240 1/20 0.59
JAK3 P52333 1/20 0.59
PTK2 Q05397 1/20 0.59
PDGFRB P09619 4/20 0.59
FLT4 P35916 3/20 0.59
FLT3 P36888 1/20 0.59
PDGFRA P16234 2/20 0.56
CDK1 P06493 1/20 0.56
FLT1 P17948 1/20 0.56

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
SCHEMBL2052933 0.92 PDGFRB (0.62) AURKAAURKBKDREGFRIGF1R
SCHEMBL6026680 0.90 PDGFRB (0.61) AURKAAURKBKDREGFRPDGFRB
SCHEMBL2053495 0.90 KDR (0.64) AURKAAURKBKDREGFRSRC
SCHEMBL6029185 0.89 AURKA (0.59) AURKAAURKBKDREGFRIGF1R
SCHEMBL2052321 0.89 CSF1R (0.63) AURKAAURKBKDREGFRIGF1R
SCHEMBL2052814 0.89 AURKB (0.75) AURKAAURKBKDREGFRIGF1R
SCHEMBL3432058 0.89 AURKA (0.79) AURKAAURKBKDREGFRIGF1R
SCHEMBL5131787 0.88 PDGFRB (0.59) AURKAAURKBKDREGFRPDGFRB
SCHEMBL2050440 0.87 KDR (0.61) AURKAAURKBKDREGFRIGF1R
SCHEMBL3428895 0.87 PDGFRB (0.58) AURKAAURKBKDREGFRPDGFRB

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.