SCHEMBL4967975

SCHEMBL4967975

COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)c2cc1OC

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.81
MAPK14 Q16539 7/20 0.77
EGFR P00533 6/20 0.67
BRAF P15056 3/20 0.61
ABCG2 Q9UNQ0 1/20 0.60
AURKA O14965 1/20 0.60
AURKB Q96GD4 1/20 0.60
TEK Q02763 1/20 0.59

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
SCHEMBL4967307 0.94 KDR (0.74) KDRMAPK14EGFRBRAFAURKA
Hydrochloric Acid SCHEMBL5004331 0.92 KDR (0.69) KDRMAPK14EGFRBRAFAURKB
SCHEMBL4969351 0.91 KDR (0.68) KDRMAPK14EGFRBRAFAURKA
SCHEMBL5000778 0.89 MAPK14 (0.73) KDRMAPK14EGFRBRAF
SCHEMBL5007815 0.87 MAPK14 (0.70) KDRMAPK14EGFRBRAFAURKA
SCHEMBL5007736 0.85 BRAF (0.62) KDRMAPK14BRAFTEK
SCHEMBL22225315 0.84 KDR (0.82) KDRMAPK14EGFRBRAFABCG2
SCHEMBL5004591 0.83 BRAF (0.69) KDRMAPK14BRAFAURKAAURKB
SCHEMBL5007709 0.83 MAPK14 (0.69) KDRMAPK14EGFRBRAFAURKA
SCHEMBL10118983 0.83 BRAF (0.88) 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 6 patents. 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 claimed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 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-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS KDR 1051/4885MAPK14 104/4885EGFR 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.