SCHEMBL2072448

SCHEMBL2072448

[c]1ccnc2c1CCCN2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.34
NNMT P40261 1/20 0.33

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
SCHEMBL331737 0.88
SCHEMBL856382 0.71 UHRF1 (0.33) UHRF1NNMT
SCHEMBL157344 0.68
SCHEMBL569627 0.68
SCHEMBL516598 0.68
SCHEMBL16339613 0.68
SCHEMBL338411 0.67
SCHEMBL362637 0.66 UHRF1 (0.38) UHRF1NNMT
SCHEMBL105406 0.64 KDM4E (0.32)
SCHEMBL4141096 0.63 POLB (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879004-B2 Substituted acetylene derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2018-01-30 US claimed
US-20150376182-A1 Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-31 US claimed
EP-2953933-A1 SUBSTITUTED ACETYLENE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 Merck Patent GmbH (DE) 2015-12-16 EP claimed
WO-2014121883-A1 SUBSTITUTED ACETYLENE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2014-08-14 WO claimed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US claimed
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP claimed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 US claimed
EP-1499607-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-01-26 EP claimed
WO-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 WO claimed
US-9879004-B2 Substituted acetylene derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2018-01-30 US disclosed
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
US-20150376182-A1 Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-31 US disclosed
EP-2953933-A1 SUBSTITUTED ACETYLENE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 Merck Patent GmbH (DE) 2015-12-16 EP disclosed
EP-1976833-B1 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2015-07-29 EP disclosed
US-20040198718-A1 Naphthyridine derivatives, processes for their preparation, their use and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2004-10-07 US disclosed
US-6743800-B1 VITRONECTIN RECEPTOR ANTAGONISTS AND INHIBITORS OF CELL ADHESION; OSTEOPOROSIS, ANGIOGENESIS INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
WO-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 WO disclosed
EP-1210348-A1 NAPHTHYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-06-05 EP disclosed
WO-2001002398-A1 NAPHTHYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-11 WO disclosed
EP-1065207-A1 Naphthyridine derivatives, processes for their preparation, their use, and pharmaceutical compositions comprising them Aventis Pharma Deutschland GmbH (DE) 2001-01-03 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-20150376182-A1 Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 UHRF1 3130/4885NNMT 1083/4885
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR UHRF1 1508/4885NNMT 1512/4885
US-20040198718-A1 Naphthyridine derivatives, processes for their preparation, their use and pharmaceutical compositions comprising them VCAM1, ADGRF1, ADGRE5 UHRF1 4368/4885NNMT 862/4885

“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.