SCHEMBL13531685

SCHEMBL13531685

CN1CCC[C@@H]1COP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.48
CHRNA4 P43681 5/20 0.48
CHRNA7 P36544 3/20 0.48
CHRNA5 P30532 2/20 0.48
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44

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
SCHEMBL25019687 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL13531684 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL14049036 0.95 CYP1A2 (0.44) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL13531681 0.95 CYP1A2 (0.44) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL13531680 0.95 CYP1A2 (0.44) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL14401062 0.87 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL15780666 0.84 CYP1A2 (0.44) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL13400532 0.82 S1PR1 (0.49)
SCHEMBL10241158 0.81 S1PR1 (0.44)
SCHEMBL14048821 0.81 CYP1A2 (0.50) CHRNB2CHRNA4CHRNA7CHRNA5

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
US-9567358-B2 Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide ASTRAZENECA AB (SE) 2017-02-14 US disclosed
US-9018191-B2 Phosphonoxy quinazoline derivatives and their pharmaceutical use ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2014-06-12 US disclosed
US-20100022476-A1 PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-01-28 US disclosed
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 EP 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-20100022476-A1 PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER CCNI, MKI67, TP53 CHRNB2 4823/4885CHRNA4 4796/4885CHRNA7 4644/4885
US-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 CHRNB2 2576/4885CHRNA4 1740/4885CHRNA7 935/4885

“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.