SCHEMBL2053534

SCHEMBL2053534

COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCN1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.63
FLT4 P35916 3/20 0.61
PDGFRB P09619 2/20 0.61
FLT3 P36888 2/20 0.61
EGFR P00533 6/20 0.59
RET P07949 1/20 0.57
KIF5B P33176 1/20 0.57
AURKB Q96GD4 1/20 0.56
ERBB2 P04626 2/20 0.55

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
SCHEMBL3429594 0.94 AURKA (0.64) AURKAFLT4PDGFRBFLT3EGFR
SCHEMBL2049094 0.93 AURKA (0.65) AURKAFLT4PDGFRBFLT3EGFR
SCHEMBL2049267 0.93 AURKA (0.63) AURKAFLT4PDGFRBFLT3EGFR
SCHEMBL2053562 0.93 AURKA (0.72) AURKAFLT4PDGFRBFLT3EGFR
SCHEMBL2052990 0.92 AURKA (0.72) AURKAFLT4PDGFRBFLT3EGFR
SCHEMBL2052848 0.92 AURKA (0.71) AURKAFLT4PDGFRBFLT3EGFR
SCHEMBL2049727 0.91 AURKA (0.62) AURKAFLT4PDGFRBFLT3EGFR
SCHEMBL2052692 0.91 AURKA (0.65) AURKAFLT4PDGFRBFLT3EGFR
SCHEMBL2049414 0.89 AURKA (0.67) AURKAFLT4PDGFRBFLT3EGFR
SCHEMBL3431735 0.89 FLT4 (0.78) AURKAFLT4PDGFRBFLT3EGFR

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 466/4885FLT4 2898/4885PDGFRB 1544/4885

“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.