SCHEMBL3193340

SCHEMBL3193340

CN(C)c1ncc(-c2nc3ccc(O)cc3o2)cn1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.83
ESR1 P03372 12/20 0.61
ESR2 Q92731 12/20 0.61
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL13419394 0.92 APP (0.93) APPESR1ESR2NPC1RAB9A
SCHEMBL3181272 0.84 APP (0.84) APPESR1ESR2NPC1RAB9A
SCHEMBL4002156 0.82 APP (0.61) APPESR1ESR2NPC1RAB9A
SCHEMBL3200362 0.81 APP (0.65) APPNPC1RAB9A
SCHEMBL13419359 0.80 APP (0.93) APPESR1ESR2NPC1RAB9A
SCHEMBL3188802 0.79 MAPT (0.59) APPNPC1RAB9A
SCHEMBL27090228 0.78 ESR1 (0.96) APPESR1ESR2NPC1RAB9A
SCHEMBL2158317 0.77 ESR1 (1.00) APPESR1ESR2NPC1RAB9A
SCHEMBL3187059 0.76 ESR1 (0.68) APPESR1ESR2NPC1RAB9A
SCHEMBL21462332 0.76 ESR1 (0.68) APPESR1ESR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506201-A Novel heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2009-08-12 CN claimed
EP-2035418-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES Astra Zeneca AB (SE) 2009-03-18 EP claimed
US-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles ASTRAZENECA AB (SE) 2008-01-31 US claimed
WO-2007149030-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES ASTRAZENECA AB (SE) 2007-12-27 WO claimed
CN-101506201-B Novel heteroaryl-substituted benzazoles derivatives ASTRAZENECA AB 2012-03-14 CN disclosed
US-7670591-B2 Heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2010-03-02 US disclosed
US-7670591-B2 Heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2010-03-02 US disclosed
US-7670591-B2 Heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2010-03-02 US disclosed
CN-101506201-A Novel heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2009-08-12 CN disclosed
EP-2035418-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES Astra Zeneca AB (SE) 2009-03-18 EP disclosed
US-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles ASTRAZENECA AB (SE) 2008-01-31 US disclosed
US-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles ASTRAZENECA AB (SE) 2008-01-31 US disclosed
US-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles ASTRAZENECA AB (SE) 2008-01-31 US disclosed
WO-2007149030-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES ASTRAZENECA AB (SE) 2007-12-27 WO disclosed
WO-2007149030-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES ASTRAZENECA AB (SE) 2007-12-27 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 (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-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles PSEN1, PSEN2, APP APP 3/4885ESR1 3839/4885ESR2 3552/4885

“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.