SCHEMBL2052876

SCHEMBL2052876

O=C(Cn1cc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cn1)Nc1cccc(F)c1F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.60
BRAF P15056 3/20 0.60
KDR P35968 1/20 0.60
PDGFRB P09619 2/20 0.58
CSF1R P07333 1/20 0.58
KIT P10721 1/20 0.58
PDGFRA P16234 1/20 0.58
AURKA O14965 6/20 0.56
AURKB Q96GD4 3/20 0.56
CYP3A4 P08684 1/20 0.55
ERBB2 P04626 2/20 0.50
HDAC1 Q13547 1/20 0.47
FLT4 P35916 1/20 0.47
FLT3 P36888 1/20 0.47
TNNI3K Q59H18 1/20 0.47

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
SCHEMBL3427296 0.94 PDGFRB (0.62) EGFRBRAFKDRPDGFRBCSF1R
SCHEMBL2052671 0.92 PDGFRB (0.61) EGFRBRAFKDRPDGFRBCSF1R
SCHEMBL2049418 0.92 PDGFRB (0.60) EGFRBRAFKDRPDGFRBCSF1R
SCHEMBL2049957 0.91 PDGFRB (0.57) EGFRBRAFKDRPDGFRBCSF1R
SCHEMBL2048898 0.90 PDGFRB (0.59) EGFRBRAFKDRPDGFRBCSF1R
SCHEMBL2052321 0.90 CSF1R (0.63) EGFRBRAFKDRPDGFRBCSF1R
SCHEMBL2050118 0.90 PDGFRB (0.58) EGFRBRAFKDRPDGFRBCSF1R
SCHEMBL5133097 0.90 PDGFRB (0.57) EGFRBRAFKDRPDGFRBCSF1R
SCHEMBL2050779 0.89 CYP3A4 (0.62) EGFRBRAFKDRPDGFRBCSF1R
SCHEMBL2053495 0.89 KDR (0.64) EGFRBRAFKDRPDGFRBPDGFRA

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 EGFR 1800/4885BRAF 64/4885KDR 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.