SCHEMBL4035986

SCHEMBL4035986

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
MAPK7 Q13164 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
HRH4 Q9H3N8 3/20 0.34
USP7 Q93009 1/20 0.33
ESR1 P03372 4/20 0.32
ESR2 Q92731 4/20 0.32
DDR1 Q08345 2/20 0.32
MCHR1 Q99705 5/20 0.32
PDE1B Q01064 1/20 0.32

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
SCHEMBL4034708 0.85 SYK (0.39) SYKMAPK7HRH3HRH4USP7
SCHEMBL6404740 0.84 SYK (0.34) SYKMAPK7HRH3DDR1MCHR1
SCHEMBL21177886 0.75 LMNA (0.35) SYKESR1ESR2
SCHEMBL1012831 0.74 ESR2 (0.52) ESR1ESR2
SCHEMBL4034080 0.71 IP6K1 (0.40) SYKMCHR1
SCHEMBL3056830 0.70 HSD17B13 (0.40)
SCHEMBL3178090 0.69 PRKCA (0.42) SYKESR1ESR2
SCHEMBL13646422 0.68 TNF (0.56)
SCHEMBL3429086 0.67 ESR2 (0.36) ESR2
SCHEMBL3177791 0.67 ESR2 (0.42) ESR1ESR2

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 SYK 318/4885MAPK7 599/4885HRH3 673/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SYK 146/4885MAPK7 412/4885HRH3 1200/4885

“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.