SCHEMBL4038428

SCHEMBL4038428

COc1cc(OC2CCOCC2)c2c(=O)n(COC(=O)C(C)(C)C)cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
EGFR P00533 4/20 0.40
SRC P12931 6/20 0.37
KDR P35968 6/20 0.37
ELANE P08246 1/20 0.35
PDE4D Q08499 5/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
TNF P01375 2/20 0.34

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
SCHEMBL4036427 0.95 EGFR (0.41) RAF1BRAFEGFRSRCKDR
SCHEMBL3280568 0.89 SRC (0.43) EGFRSRCKDRTNF
SCHEMBL4032062 0.88 SLC2A1 (0.36) RAF1BRAFEGFRELANE
SCHEMBL4032138 0.83 PDE4D (0.38) EGFRSRCKDRPDE4DPDE4A
SCHEMBL3177738 0.81 TNF (0.39) TNF
SCHEMBL4033450 0.79 LMNA (0.37) PDE4DPDE4APDE4BPDE4C
SCHEMBL1012831 0.79 ESR2 (0.52) TNF
SCHEMBL4033828 0.77 SLC2A1 (0.45) SRC
SCHEMBL3429416 0.77 F2RL3 (0.36) TNF
SCHEMBL3192060 0.73 TNF (0.35) TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (2 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 RAF1 18/4885BRAF 38/4885EGFR 4/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 RAF1 8/4885BRAF 16/4885EGFR 2/4885

“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.