SCHEMBL3523231

SCHEMBL3523231

O=C(O)N1CCC[C@@H]1COc1cc(OCc2ccccc2)cc2ncnc(Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 6/20 0.44
EGFR P00533 2/20 0.42
ERBB2 P04626 2/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNA5 P30532 1/20 0.40
SPHK1 Q9NYA1 6/20 0.40
MET P08581 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL4620158 0.87 CAMKK1 (0.38) EGFRERBB2HRH3
SCHEMBL2797310 0.84 CAMKK1 (0.39) EGFRERBB2NPC1RAB9AHRH3
SCHEMBL3520449 0.84 EGFR (0.53) EGFRERBB2
SCHEMBL2799360 0.83 EGFR (0.39) EGFRERBB2
SCHEMBL5735308 0.83 SPHK2 (0.43) SPHK2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL3520472 0.83 SPHK2 (0.43) SPHK2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL3429735 0.80 CHRNB2 (0.38) SPHK2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL5315779 0.77 CHRNB2 (0.58) SPHK2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL5132712 0.77 CHRNB2 (0.58) SPHK2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL3827589 0.76 SPHK2 (0.66) SPHK2CHRNB2CHRNA7CHRNA4CHRNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659279-B2 2-{(2S)-2-[({4-[3-Chloro-4-fluoroanilino]-7-methoxyquinazolin-5-yl}oxy)methyl]pyrrolidin-1-yl}-2-oxoethanol; epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; breast, colorectal and head and neck cancer ASTRAZENECA AB (SE) 2010-02-09 US disclosed
EP-1622620-B1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-02-20 EP disclosed
US-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer ASTRAZENECA AB (SE) 2006-09-21 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-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer EGFR, ERBB2, ERBB4 SPHK2 3156/4885EGFR 1/4885ERBB2 2/4885

“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.