SCHEMBL2053224

SCHEMBL2053224

CC(C)Oc1cc(OCCCN2CCC[C@@H]2COP(=O)(O)O)cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c12

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.68
KIT P10721 2/20 0.56
PDGFRA P16234 2/20 0.56
PDGFRB P09619 2/20 0.56
CSF1R P07333 1/20 0.56
AURKA O14965 9/20 0.55
AURKB Q96GD4 1/20 0.44
SRC P12931 7/20 0.39
KDR P35968 7/20 0.39
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL3430885 0.94 CYP3A4 (0.71) CYP3A4KITPDGFRAPDGFRBCSF1R
SCHEMBL3426395 0.92 PDGFRB (0.66) CYP3A4KITPDGFRAPDGFRBCSF1R
SCHEMBL2052803 0.92 PDGFRB (0.66) CYP3A4KITPDGFRAPDGFRBCSF1R
SCHEMBL5133626 0.90 PDGFRB (0.57) CYP3A4KITPDGFRAPDGFRBCSF1R
SCHEMBL5133624 0.90 PDGFRB (0.56) CYP3A4KITPDGFRAPDGFRBCSF1R
SCHEMBL6026886 0.89 CYP3A4 (0.66) CYP3A4KITPDGFRAPDGFRBCSF1R
SCHEMBL2050490 0.89 CYP3A4 (0.52) CYP3A4KITPDGFRAPDGFRBCSF1R
SCHEMBL3431334 0.89 CYP3A4 (0.67) CYP3A4KITPDGFRAPDGFRBCSF1R
SCHEMBL2050566 0.87 CYP3A4 (0.81) CYP3A4KITPDGFRAPDGFRBCSF1R
SCHEMBL2051936 0.87 CYP3A4 (0.81) CYP3A4KITPDGFRAPDGFRBCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4709139-B2 2011-06-22 JP claimed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP 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 CYP3A4 624/4885KIT 50/4885PDGFRA 1188/4885

“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.