SCHEMBL2053587

SCHEMBL2053587

COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCN(C)CC(C)C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 5/20 0.61
FLT3 P36888 4/20 0.61
PDGFRB P09619 4/20 0.61
AURKA O14965 10/20 0.60
CSF1R P07333 1/20 0.58
AURKB Q96GD4 3/20 0.53
ERBB2 P04626 1/20 0.49
KDR P35968 5/20 0.49
HDAC3 O15379 4/20 0.49
HDAC4 P56524 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC10 Q969S8 4/20 0.49
HDAC11 Q96DB2 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC9 Q9UKV0 4/20 0.49
HDAC5 Q9UQL6 4/20 0.49

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
SCHEMBL2048943 0.93 AURKA (0.66) FLT4FLT3PDGFRBAURKACSF1R
SCHEMBL2053181 0.93 AURKA (0.64) FLT4FLT3PDGFRBAURKACSF1R
SCHEMBL2049059 0.92 FLT4 (0.63) FLT4FLT3PDGFRBAURKACSF1R
SCHEMBL2053247 0.92 AURKA (0.67) FLT4FLT3PDGFRBAURKACSF1R
SCHEMBL2053380 0.92 FLT4 (0.66) FLT4FLT3PDGFRBAURKACSF1R
SCHEMBL2052770 0.92 AURKA (0.71) FLT4FLT3PDGFRBAURKACSF1R
SCHEMBL2053254 0.90 FLT4 (0.61) FLT4FLT3PDGFRBAURKACSF1R
SCHEMBL2053146 0.90 AURKA (0.66) FLT4FLT3PDGFRBAURKACSF1R
SCHEMBL2048586 0.89 FLT4 (0.78) FLT4FLT3PDGFRBAURKACSF1R
SCHEMBL2052927 0.89 AURKA (0.65) FLT4FLT3PDGFRBAURKACSF1R

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 FLT4 2898/4885FLT3 703/4885PDGFRB 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.