SCHEMBL6404740

SCHEMBL6404740

CN(C)[C@@H]1CCN(c2cc(O[N+]3(C)CCCCC3)c3c(=O)n(COC(=O)C(C)(C)C)cnc3c2)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.34
MCHR1 Q99705 1/20 0.33
KCNH2 Q12809 1/20 0.31
MAPK7 Q13164 1/20 0.31
DDR1 Q08345 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL4035986 0.84 SYK (0.38) SYKMCHR1MAPK7DDR1HRH3
SCHEMBL4034708 0.83 SYK (0.39) SYKMAPK7DDR1HRH3
SCHEMBL3429086 0.65 ESR2 (0.36)
SCHEMBL3429416 0.64 F2RL3 (0.36)
SCHEMBL3280568 0.64 SRC (0.43)
SCHEMBL3177791 0.64 ESR2 (0.42)
SCHEMBL6463306 0.63 HDAC6 (0.49)
SCHEMBL3177738 0.62 TNF (0.39)
SCHEMBL4038428 0.62 RAF1 (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL4033450 0.61 LMNA (0.37) SYKPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US 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 (1 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 SYK 318/4885MCHR1 2603/4885KCNH2 1510/4885

“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.