SCHEMBL5709792

SCHEMBL5709792

O=c1cccc(-c2ccccn2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
KDM4E B2RXH2 7/20 0.49
LMNA P02545 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
BTK Q06187 1/20 0.49
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
HIF1A Q16665 2/20 0.48
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
HTT P42858 4/20 0.47

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
SCHEMBL29664837 1.00 NOTUM (0.52) NOTUMKDM4ELMNANPC1RAB9A
SCHEMBL3042222 0.82 CHEK1 (0.49) NOTUMKDM4ELMNANPC1RAB9A
SCHEMBL6524542 0.82 IDO1 (0.50) NOTUMKDM4ELMNANPC1RAB9A
SCHEMBL30693692 0.81 NOTUM (0.56) NOTUMBTKGAANPY5R
SCHEMBL8515018 0.79 NOTUM (0.54) NOTUMKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL1456454 0.79 KDM4E (0.62) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL29624537 0.79 KDM4E (0.62) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL20510086 0.78 KDM4E (0.50) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL1456955 0.77 KDM4E (0.59) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL7062776 0.77 KDM4E (0.48) KDM4ELMNANPC1RAB9ASMN1; SMN2

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-2586777-B1 Process for the preparation of 2-alkoxy-5-(pyridin-2-yl)pyridine, an intermediate of perampanel ITALIANA SINT SPA (IT) 2014-11-12 EP claimed
US-20130109862-A1 METHODS FOR PREPARING INTERMEDIATES OF PERAMPANEL F.I.S. FABRICA ITALIANA SINTETICI S.p.A. (IT) 2013-05-02 US claimed
EP-2586777-A1 Process for the preparation of 2-alkoxy-5-(pyridin-2-yl)pyridine, an intermediate of perampanel F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2013-05-01 EP claimed
EP-1569925-A1 2-SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-07 EP claimed
WO-2004055003-A1 2-SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-01 WO claimed
EP-4370490-A1 LIGAND-CONTROLLED DIVERGENT DEHYDROGENATIVE REACTIONS OF ALIPHATIC ACIDS The Scripps Research Institute (US) 2024-05-22 EP disclosed
US-20240059656-A1 A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN THE SCRIPPS RESEARCH INSTITUTE 2024-02-22 US disclosed
WO-2023287964-A1 LIGAND-CONTROLLED DIVERGENT DEHYDROGENATIVE REACTIONS OF ALIPHATIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO disclosed
WO-2012070040-A1 COMPOSITIONS AND METHODS FOR AMELIORATING RENAL DYSFUNCTION INDUCED BY RENAL HYPOPERFUSION OR ACUTE KIDNEY INJURY TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2012-05-31 WO disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
EP-1471910-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN RECEPTORS NEUROGEN CORPORATION (US) 2004-11-03 EP disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 WO disclosed
WO-2003062209-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN NEUROGEN CORPORATION (US) 2003-07-31 WO disclosed
US-4550166-A SEDATIVES, TRANQUILIZERS, TENSION REDUCERS AMERICAN CYANAMID COMPANY (US) 1985-10-29 US 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 (2 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-20240059656-A1 A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN PAH, OGDH, DOHH NOTUM 3255/4885KDM4E 965/4885LMNA 4011/4885
US-20130109862-A1 METHODS FOR PREPARING INTERMEDIATES OF PERAMPANEL PDXK, AGPS, PNPO NOTUM 732/4885KDM4E 1669/4885LMNA 1063/4885

“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.