SCHEMBL1098549

SCHEMBL1098549

O=[N+]([O-])c1ccc(NC2CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
POLB P06746 2/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
GLA P06280 1/20 0.39
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
HCAR3 P49019 1/20 0.37
CDK2 P24941 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17054986 0.94 MAPT (0.55) MAPTPOLBGAALMNACHRNB2
SCHEMBL12041915 0.90 MAPT (0.44) MAPTPOLBGAALMNACHRNB2
Hydrochloric Acid SCHEMBL382302 0.88 MAPT (0.43) MAPTPOLBGAALMNACHRNB2
SCHEMBL31247582 0.86 POLB (0.44) MAPTPOLBGAALMNACHRNB2
SCHEMBL31661424 0.82 MAPT (0.43) MAPTPOLBGAALMNACHRNB2
SCHEMBL30116099 0.82 MAPT (0.43) MAPTPOLBGAALMNACHRNB2
SCHEMBL31661421 0.79 MAPT (0.36) MAPTPOLBGAALMNACHRNB2
SCHEMBL381064 0.77 ALDH1A1 (0.59) MAPTLMNARAB9A
SCHEMBL14919183 0.75 MAPT (0.47) MAPTPOLBCHRNB2CHRNA4CHRNB4
SCHEMBL31580426 0.75 ALDH1A1 (0.52) MAPTPOLBGAACHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101072758-B Quinazoline derivatives ASTRAZENECA AB 2013-07-31 CN disclosed
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
CN-101072758-A Quinazoline derivatives ASTRAZENECA AB (SE) 2007-11-14 CN disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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 (3 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 MAPT 3649/4885POLB 2260/4885GAA 3392/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 MAPT 3010/4885POLB 1660/4885GAA 2241/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 MAPT 2983/4885POLB 1971/4885GAA 2740/4885

“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.