SCHEMBL2294229

SCHEMBL2294229

Cc1cn2cc(O)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.50
DYRK1A Q13627 2/20 0.41
CLK1 P49759 1/20 0.41
MCHR1 Q99705 1/20 0.40
NPC1 O15118 7/20 0.40
RAB9A P51151 6/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
PAX8 Q06710 2/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
GFER P55789 3/20 0.39
POLB P06746 3/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.39
USP7 Q93009 1/20 0.39

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
SCHEMBL4790793 0.80 NPC1 (0.59) APPMCHR1NPC1RAB9AKDM4E
SCHEMBL418021 0.75 PIK3CG (0.60) APPDYRK1ACLK1NPC1RAB9A
SCHEMBL7988504 0.75 APP (0.50) APPDYRK1AMCHR1NPC1RAB9A
SCHEMBL14427902 0.75 CYP11B1 (0.57) APPDYRK1ACLK1MCHR1NPC1
SCHEMBL433724 0.75 RAB9A (0.56) APPNPC1RAB9AKDM4EALDH1A1
SCHEMBL2242841 0.75 NPC1 (0.40) APPDYRK1AMCHR1NPC1RAB9A
SCHEMBL13391848 0.75 APP (0.42) APPDYRK1AMCHR1NPC1RAB9A
SCHEMBL20067652 0.75 MCHR1 (0.70) MCHR1NPC1RAB9AKMT2AMEN1
SCHEMBL13050269 0.75 APP (0.46) APPDYRK1ACLK1MCHR1NPC1
SCHEMBL8829997 0.75 MAP3K5 (0.47) APPMCHR1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021126729-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
EP-2534170-B1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2017-04-19 EP disclosed
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 US disclosed
US-8309554-B2 Hypoxia activated drugs of nitrogen mustard alkylators THRESHOLD PHARMACEUTICALS (US) 2012-11-13 US disclosed
US-20110190310-A1 Hypoxia Activated Drugs Of Nitrogen Mustard Alkylators THRESHOLD PHARMACEUTICALS, INC. 2011-08-04 US disclosed
WO-2009140553-A2 HYPOXIA ACTIVATED DRUGS OF NITROGEN MUSTARD ALKYLATORS THRESHOLD PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed
EP-2041153-B1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES FOURNIER LAB SA (FR) 2009-10-21 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 (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-20110190310-A1 Hypoxia Activated Drugs Of Nitrogen Mustard Alkylators HIF1AN, HIF1A, HYOU1 APP 4877/4885DYRK1A 4013/4885CLK1 4384/4885
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A APP 1209/4885DYRK1A 4075/4885CLK1 3259/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A APP 1209/4885DYRK1A 4075/4885CLK1 3259/4885

“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.