SCHEMBL3429940

SCHEMBL3429940

O=C(Cn1cc(Nc2ncnc3cc(OCCCN(CCO)C4CCCC4)c(F)cc23)cn1)Nc1cccc(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.54
PDGFRB P09619 4/20 0.49
FLT4 P35916 4/20 0.49
FLT3 P36888 3/20 0.49
CSF1R P07333 2/20 0.49
KIT P10721 1/20 0.49
PDGFRA P16234 1/20 0.49
AURKB Q96GD4 4/20 0.48
CYP3A4 P08684 1/20 0.46

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
SCHEMBL2050210 0.94 AURKA (0.62) AURKAPDGFRBFLT4FLT3CSF1R
SCHEMBL2050869 0.92 AURKA (0.63) AURKAPDGFRBFLT4FLT3CSF1R
SCHEMBL2051038 0.91 PDGFRB (0.57) AURKAPDGFRBFLT4FLT3CSF1R
SCHEMBL2049733 0.91 AURKA (0.59) AURKAPDGFRBFLT4FLT3CSF1R
SCHEMBL2049132 0.90 AURKA (0.60) AURKAPDGFRBFLT4FLT3CSF1R
SCHEMBL3427013 0.89 AURKA (0.59) AURKAPDGFRBFLT4FLT3CSF1R
SCHEMBL2053233 0.88 PDGFRB (0.56) AURKAPDGFRBFLT4FLT3CSF1R
SCHEMBL2053160 0.87 PDGFRB (0.55) AURKAPDGFRBFLT4FLT3CSF1R
SCHEMBL2049097 0.87 PDGFRB (0.57) AURKAPDGFRBFLT4FLT3CSF1R
SCHEMBL2054386 0.87 AURKA (0.65) AURKAPDGFRBFLT4FLT3CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 466/4885PDGFRB 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.