SCHEMBL5468896

SCHEMBL5468896

[O]CCC1CCCCCN1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
CYP1A2 P05177 2/20 0.48
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MLNR O43193 1/20 0.48
ABCB11 O95342 1/20 0.48
EGFR P00533 1/20 0.48
FYN P06241 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL272549 0.98
SCHEMBL3637981 0.98
SCHEMBL6781145 0.91
SCHEMBL197630 0.91
SCHEMBL5468905 0.87 HRH3 (0.49) CYP2D6KMT2AMEN1LMNATP53
SCHEMBL4386162 0.84 HRH3 (0.50) CYP2D6KMT2AMEN1LMNATP53
SCHEMBL5663632 0.83 HRH3 (0.45) CYP2D6KMT2AMEN1LMNATP53
SCHEMBL5482522 0.81
SCHEMBL18531660 0.79 CYP2D6 (0.50) CYP2D6KMT2AMEN1LMNATP53
SCHEMBL9517696 0.79 CYP2D6 (0.50) CYP2D6KMT2AMEN1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 CYP2D6 868/4885KMT2A 1693/4885MEN1 1212/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 CYP2D6 1162/4885KMT2A 1786/4885MEN1 2352/4885

“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.