SCHEMBL2050490

SCHEMBL2050490

CC(C)Oc1cc(OCCCN2CCN(CCOP(=O)(O)O)CC2)cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
KIT P10721 2/20 0.46
PDGFRA P16234 2/20 0.46
CSF1R P07333 1/20 0.46
PDGFRB P09619 1/20 0.46
AURKA O14965 4/20 0.46
SRC P12931 13/20 0.45
KDR P35968 12/20 0.45

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
SCHEMBL2052818 0.92 AURKA (0.50) CYP3A4KITPDGFRACSF1RPDGFRB
SCHEMBL2053015 0.90 PDGFRB (0.49) CYP3A4KITPDGFRACSF1RPDGFRB
SCHEMBL2050873 0.90 SRC (0.48) CYP3A4KITPDGFRACSF1RPDGFRB
SCHEMBL5133880 0.90 PDGFRB (0.47) CYP3A4KITPDGFRACSF1RPDGFRB
SCHEMBL2050407 0.90 CYP3A4 (0.48) CYP3A4KITPDGFRACSF1RPDGFRB
SCHEMBL2053224 0.89 CYP3A4 (0.68) CYP3A4KITPDGFRACSF1RPDGFRB
SCHEMBL2053490 0.87 PDGFRB (0.47) CYP3A4KITPDGFRACSF1RPDGFRB
SCHEMBL2050779 0.86 CYP3A4 (0.62) CYP3A4KITPDGFRACSF1RPDGFRB
SCHEMBL5131119 0.85 PDGFRB (0.44) CYP3A4KITPDGFRACSF1RPDGFRB
SCHEMBL5133626 0.85 PDGFRB (0.57) CYP3A4KITPDGFRACSF1RPDGFRB

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 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.