SCHEMBL4033450

SCHEMBL4033450

CC(C)(C)C(=O)OCn1cnc2cc(OCc3ccccc3)cc(OC3CCCC3)c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SLC2A1 P11166 1/20 0.37
NEK2 P51955 1/20 0.37
PLK1 P53350 1/20 0.37
PDE4B Q07343 8/20 0.37
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
ACACB O00763 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
PDE4A P27815 6/20 0.36
PDE4C Q08493 5/20 0.36
PDE4D Q08499 5/20 0.36
C5AR1 P21730 1/20 0.35
FKBP1A P62942 1/20 0.34
SYK P43405 1/20 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
SCHEMBL4032062 0.93 SLC2A1 (0.36) LMNASLC2A1NEK2PLK1PRKCA
SCHEMBL4033828 0.93 SLC2A1 (0.45) SLC2A1NEK2PLK1PRKCAPRKCD
SCHEMBL4032138 0.90 PDE4D (0.38) LMNASLC2A1NEK2PLK1PDE4B
SCHEMBL3188070 0.85 PRKCA (0.38) LMNAPRKCAPRKCDNPC1TP53
SCHEMBL3431043 0.85 PRKCA (0.41) LMNAPRKCAPRKCDNPC1TP53
SCHEMBL3178090 0.84 PRKCA (0.42) LMNAPRKCAPRKCDNPC1TP53
SCHEMBL3429735 0.84 CHRNB2 (0.38) PRKCAPRKCDNPC1TP53RAB9A
SCHEMBL27221614 0.83 PRKCA (0.38) LMNAPRKCAPRKCDNPC1TP53
SCHEMBL27221408 0.82 PRKCA (0.37) LMNAPLK1PRKCAPRKCDNPC1
SCHEMBL6019927 0.81 PRMT5 (0.40)

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 LMNA 3367/4885SLC2A1 3970/4885NEK2 229/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 LMNA 3726/4885SLC2A1 4136/4885NEK2 407/4885

“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.