SCHEMBL4032138

SCHEMBL4032138

CC(C)(C)C(=O)OCn1cnc2cc(OCc3ccccc3)cc(OC3CCOC3)c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.38
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PTGER1 P34995 1/20 0.35
CTSL P07711 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
EGFR P00533 4/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SLC2A1 P11166 1/20 0.34
LMNA P02545 1/20 0.33
NEK2 P51955 1/20 0.33
PLK1 P53350 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33

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
SCHEMBL4032062 0.95 SLC2A1 (0.36) PRKCAPRKCDEGFRNPC1TP53
SCHEMBL4033450 0.90 LMNA (0.37) PDE4DPDE4APDE4BPDE4CPRKCA
SCHEMBL4036427 0.88 EGFR (0.41) PDE4DPDE4APDE4BPDE4CSRC
SCHEMBL4038428 0.83 RAF1 (0.41) PDE4DPDE4APDE4BPDE4CSRC
SCHEMBL3188070 0.82 PRKCA (0.38) PRKCAPRKCDNPC1TP53RAB9A
SCHEMBL3431043 0.82 PRKCA (0.41) PRKCAPRKCDNPC1TP53RAB9A
SCHEMBL3178090 0.81 PRKCA (0.42) PRKCAPRKCDNPC1TP53RAB9A
SCHEMBL27221614 0.80 PRKCA (0.38) PRKCAPRKCDNPC1TP53RAB9A
SCHEMBL27221408 0.79 PRKCA (0.37) PRKCAPRKCDNPC1TP53RAB9A
SCHEMBL3429735 0.79 CHRNB2 (0.38) PRKCAPRKCDNPC1TP53RAB9A

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 PDE4D 3030/4885PDE4A 2954/4885PDE4B 3143/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 PDE4D 3566/4885PDE4A 3777/4885PDE4B 3533/4885

“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.