SCHEMBL4033828

SCHEMBL4033828

CN1CCC(Oc2cc(OCc3ccccc3)cc3ncn(COC(=O)C(C)(C)C)c(=O)c23)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
NEK2 P51955 4/20 0.45
PLK1 P53350 2/20 0.45
MCHR1 Q99705 1/20 0.39
HRH1 P35367 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ACACB O00763 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SRC P12931 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
SCHEMBL4033450 0.93 LMNA (0.37) SLC2A1NEK2PLK1ACACBPRKCA
SCHEMBL4032062 0.91 SLC2A1 (0.36) SLC2A1NEK2PLK1MCHR1ACACB
SCHEMBL3280568 0.88 SRC (0.43) SLC2A1NEK2PLK1RAB9ASRC
SCHEMBL4032138 0.88 PDE4D (0.38) SLC2A1NEK2PLK1PRKCAPRKCD
SCHEMBL3188070 0.83 PRKCA (0.38) ALDH1A1ACHEPRKCAPRKCDNPC1
SCHEMBL3431043 0.83 PRKCA (0.41) PRKCAPRKCDNPC1TP53RAB9A
SCHEMBL3178090 0.82 PRKCA (0.42) PRKCAPRKCDNPC1TP53RAB9A
SCHEMBL3429735 0.82 CHRNB2 (0.38) MCHR1ALDH1A1PRKCAPRKCDNPC1
SCHEMBL27221614 0.81 PRKCA (0.38) ALDH1A1PRKCAPRKCDNPC1TP53
SCHEMBL27221408 0.80 PRKCA (0.37) PLK1ALDH1A1PRKCAPRKCDNPC1

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 SLC2A1 3970/4885NEK2 229/4885PLK1 77/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SLC2A1 4136/4885NEK2 407/4885PLK1 177/4885

“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.