SCHEMBL5004591

SCHEMBL5004591

COc1cc2c(Nc3cc(NC(=O)c4cccc(C(C)(C)C#N)c4)ccc3C)ncnc2cc1O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.69
MAPK14 Q16539 3/20 0.65
AURKB Q96GD4 2/20 0.59
KDR P35968 1/20 0.59
AURKA O14965 1/20 0.56
RAF1 P04049 1/20 0.56
YES1 P07947 1/20 0.56

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 0.95 MAPK14 (0.73) BRAFMAPK14KDRRAF1YES1
SCHEMBL4967307 0.89 KDR (0.74) BRAFMAPK14AURKBKDRAURKA
SCHEMBL5007709 0.89 MAPK14 (0.69) BRAFMAPK14AURKBKDRAURKA
SCHEMBL29459596 0.88 BRAF (0.71) BRAFMAPK14RAF1YES1
SCHEMBL4746679 0.88 BRAF (0.71) BRAFMAPK14RAF1YES1
SCHEMBL4967550 0.87 BRAF (0.67) BRAFRAF1YES1
SCHEMBL4749211 0.86 BRAF (0.68) BRAFRAF1YES1
SCHEMBL4750092 0.85 BRAF (0.69) BRAF
SCHEMBL5000826 0.84 BRAF (0.66) BRAFRAF1YES1
SCHEMBL4750107 0.84 BRAF (0.66) BRAFRAF1YES1

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 BRAF 1/4885MAPK14 104/4885AURKB 883/4885

“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.