SCHEMBL434678

SCHEMBL434678

OCc1cc2c(cn1)OCCC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.40
WNT3A P56704 6/20 0.40
KCNH2 Q12809 2/20 0.36
TOP2A P11388 1/20 0.36
NOTUM Q6P988 2/20 0.34
RIPK1 Q13546 1/20 0.34
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PRKCI P41743 1/20 0.33
HTR1D P28221 1/20 0.32
HTR2C P28335 1/20 0.32
QPCT Q16769 1/20 0.32

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
SCHEMBL30718791 0.90 PRKCI (0.38) NOTUMDYRK1APRKCI
SCHEMBL2939393 0.90 PRKCI (0.38) NOTUMDYRK1APRKCI
SCHEMBL10313886 0.87 CTNNB1 (0.37) CTNNB1WNT3ANOTUMRIPK1CLK1
Hydrochloric Acid SCHEMBL4137093 0.85 CTNNB1 (0.36) CTNNB1WNT3AKCNH2NOTUMRIPK1
SCHEMBL18237808 0.83 KCNH2 (0.38) CTNNB1WNT3AKCNH2TOP2ANOTUM
SCHEMBL9981363 0.83 CTNNB1 (0.37) CTNNB1WNT3AKCNH2TOP2ANOTUM
Hydrochloric Acid SCHEMBL18187536 0.82 CTNNB1 (0.36) CTNNB1WNT3AKCNH2TOP2ANOTUM
SCHEMBL4133972 0.81 NOTUM (0.39) NOTUM
SCHEMBL24221632 0.80 KCNH2 (0.37) CTNNB1WNT3AKCNH2TOP2ANOTUM
SCHEMBL5744126 0.77 CTNNB1 (0.42) CTNNB1WNT3AKCNH2TOP2ANOTUM

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318933-A1 FUSED PYRAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-11-03 US disclosed
EP-2595994-B1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2016-04-20 EP disclosed
US-8759523-B2 Process for preparing pyrano—[2,3-C]pyridine derivatives GLAXO GROUP LIMITED (GB) 2014-06-24 US disclosed
US-8759523-B2 Process for preparing pyrano—[2,3-C]pyridine derivatives GLAXO GROUP LIMITED (GB) 2014-06-24 US disclosed
US-8759523-B2 Process for preparing pyrano—[2,3-C]pyridine derivatives GLAXO GROUP LIMITED (GB) 2014-06-24 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
EP-2376497-B1 5-AMINO-2-(1-HYDROXY-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-09-18 EP disclosed
EP-2595994-A2 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES Glaxo Group Limited (GB) 2013-05-29 EP disclosed
US-20130116436-A1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVITAVES GLAXO GROUP LIMITED (GB) 2013-05-09 US disclosed
EP-1572300-A1 COMBINATION FOR THE TREATMENT OF ADHD Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder PFIZER INC 2005-05-19 US disclosed
WO-2004064836-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-08-05 WO disclosed
EP-1442037-A1 AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004052348-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
US-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-07-10 US disclosed
WO-2003042210-A1 AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-05-22 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 (4 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-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease TPMT, PAICS, MALT1 CTNNB1 2534/4885WNT3A 4302/4885KCNH2 1681/4885
US-20160318933-A1 FUSED PYRAZOLE DERIVATIVE DRD4, DRD2, DRD3 CTNNB1 2122/4885WNT3A 936/4885KCNH2 617/4885
US-20130116436-A1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVITAVES DHPS, AKR1C3, Q6ZSR9 CTNNB1 3466/4885WNT3A 1450/4885KCNH2 503/4885
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder CHRNA7, CHRNA10, SLC18A3 CTNNB1 1894/4885WNT3A 2665/4885KCNH2 531/4885

“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.