SCHEMBL4084384

SCHEMBL4084384

COc1ccc(-c2ccnc(C)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 1.00
WNT3A P56704 4/20 0.55
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54
APH1A Q96BI3 1/20 0.54
PSENEN Q9NZ42 1/20 0.54
PORCN Q9H237 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
FDPS P14324 1/20 0.49
NPC1 O15118 2/20 0.47
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
JAK2 O60674 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL14072356 0.81 DYRK1A (0.69) DYRK1AWNT3APSEN1PSEN2APH1B
SCHEMBL1896511 0.81 DYRK1A (0.65) DYRK1AWNT3APSEN1PSEN2APH1B
SCHEMBL30308690 0.81 DYRK1A (0.65) DYRK1AWNT3APSEN1PSEN2APH1B
SCHEMBL6855459 0.79 DYRK1A (0.66) DYRK1AWNT3APSEN1PSEN2APH1B
SCHEMBL2350999 0.79 DYRK1A (0.66) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL31288165 0.79 DYRK1A (0.66) DYRK1ACLK4ROCK2ROCK1FDPS
SCHEMBL4094606 0.79 DYRK1A (0.66) DYRK1ACLK4ROCK2ROCK1FDPS
SCHEMBL25754727 0.79 DYRK1A (0.65) DYRK1AWNT3APSEN1PSEN2APH1B
Iodide SCHEMBL9618570 0.79 DYRK1A (0.63) DYRK1AWNT3APSEN1PSEN2APH1B
SCHEMBL12441340 0.78 DYRK1A (0.65) DYRK1AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
CN-101863826-B Method for preparing 2-benzyl pyridine compound USTC UNIV SCIENCE TECH CN 2012-11-21 CN disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
CN-101863826-A Method for preparing 2-benzyl pyridine compound USTC UNIV SCIENCE TECH CN 2010-10-20 CN disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO disclosed
US-5574049-A POTASSIUM CHANNEL OPENERS, BRONCHODILATORS, ANTIASTHMA SANDOZ LTD. (CH) 1996-11-12 US disclosed
EP-0623129-A1 2,2-DIALKYL- AND 2,2-DIALKYL-3,4-DIHYDRO-3-HYDROXY-2H-1-BENZOPYR ANS, THEIR USE AS PHARMACEUTICALS Novartis AG (CH) 1994-11-09 EP disclosed
WO-1994012493-A1 2,2-DIALKYL- AND 2,2-DIALKYL-3,4-DIHYDRO-3-HYDROXY-2H-1-BENZOPYR ANS, THEIR USE AS PHARMACEUTICALS SANDOZ, LTD. (CH) 1994-06-09 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-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH1 DYRK1A 1070/4885WNT3A 2167/4885PSEN1 214/4885

“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.