SCHEMBL5007709

SCHEMBL5007709

COc1cc2c(Nc3cc(NC(=O)c4cccc(C(C)(C)C#N)c4)ccc3C)ncnc2cc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.69
BRAF P15056 10/20 0.64
EGFR P00533 5/20 0.60
KDR P35968 1/20 0.56
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54

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
SCHEMBL5000778 0.94 MAPK14 (0.73) MAPK14BRAFEGFRKDR
SCHEMBL4967069 0.89 BRAF (0.62) MAPK14BRAF
SCHEMBL5004591 0.89 BRAF (0.69) MAPK14BRAFKDRAURKAAURKB
SCHEMBL4746679 0.84 BRAF (0.71) MAPK14BRAF
SCHEMBL29459596 0.84 BRAF (0.71) MAPK14BRAF
SCHEMBL4967550 0.83 BRAF (0.67) BRAF
SCHEMBL4967975 0.83 KDR (0.81) MAPK14BRAFEGFRKDRAURKA
SCHEMBL4749211 0.82 BRAF (0.68) BRAF
SCHEMBL4750092 0.81 BRAF (0.69) BRAF
SCHEMBL5000826 0.81 BRAF (0.66) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US 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-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS MAPK14 104/4885BRAF 1/4885EGFR 1237/4885

“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.