SCHEMBL3362140

SCHEMBL3362140

N#Cc1cc(-c2ccncc2)cnc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
RXFP1 Q9HBX9 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR2 P34972 1/20 0.46
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
LMNA P02545 4/20 0.44
CLK1 P49759 1/20 0.44
MAPK10 P53779 1/20 0.43
LRRK2 Q5S007 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHEK1 O14757 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Hydrochloric Acid SCHEMBL7307696 0.99 KDM4E (0.45) KDM4ERXFP1ALDH1A1CASP1CASP7
Fumaric Acid SCHEMBL7310330 0.90 KDM4E (0.42) KDM4ERXFP1ALDH1A1CASP1CASP7
Cadaverine Tartrate SCHEMBL7306563 0.89 AOC3 (0.42) KDM4ERXFP1ALDH1A1CASP1CASP7
SCHEMBL30903340 0.84 ROCK2 (0.49) KDM4EALDH1A1CASP1HPGDHSD17B10
SCHEMBL7285351 0.84 ROCK2 (0.49) KDM4EALDH1A1CASP1HPGDHSD17B10
SCHEMBL7282842 0.84 ROCK2 (0.51) KDM4EHPGDHSD17B10CNR2ROCK2
SCHEMBL9695411 0.84 KDM4E (0.44) KDM4ERXFP1ALDH1A1CASP1CASP7
Hydrochloric Acid SCHEMBL9696867 0.83 KDM4E (0.43) KDM4ERXFP1ALDH1A1CASP1CASP7
SCHEMBL7282646 0.79 ROCK2 (0.56) CNR2ROCK2ROCK1GRM5
SCHEMBL7291799 0.79 MAPK13 (0.49) KDM4EALDH1A1CNR2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281705-A Precipitating from a starting material which is a solution of the starting material in an inorganic or organic acid, and precipitating with a base, or a solution of starting material in a chlorinated hydrocarbon, precipitating with hydrocarbon ARZNEIMITTELWERK DRESDEN GMBH (DD) 1994-01-25 US claimed
US-5204464-A Cardiotonic agents, vasodilators ARZNEIMITTELWERK DRESDEN GMBH (DE) 1993-04-20 US claimed
EP-0445553-A1 Compact crystalline 3-cyano-2-morpholino-5-(pyridyl-4)-pyridine with high bulk density and process for preparation ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-09-11 EP claimed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-5281705-A Precipitating from a starting material which is a solution of the starting material in an inorganic or organic acid, and precipitating with a base, or a solution of starting material in a chlorinated hydrocarbon, precipitating with hydrocarbon ARZNEIMITTELWERK DRESDEN GMBH (DD) 1994-01-25 US disclosed
US-5281705-A Precipitating from a starting material which is a solution of the starting material in an inorganic or organic acid, and precipitating with a base, or a solution of starting material in a chlorinated hydrocarbon, precipitating with hydrocarbon ARZNEIMITTELWERK DRESDEN GMBH (DD) 1994-01-25 US disclosed
US-5281705-A Precipitating from a starting material which is a solution of the starting material in an inorganic or organic acid, and precipitating with a base, or a solution of starting material in a chlorinated hydrocarbon, precipitating with hydrocarbon ARZNEIMITTELWERK DRESDEN GMBH (DD) 1994-01-25 US disclosed
US-5204464-A Cardiotonic agents, vasodilators ARZNEIMITTELWERK DRESDEN GMBH (DE) 1993-04-20 US disclosed
US-5204464-A Cardiotonic agents, vasodilators ARZNEIMITTELWERK DRESDEN GMBH (DE) 1993-04-20 US disclosed
US-5162533-A 3-CYANO-5,4'-BIPYRIDINE-1'-OXIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS CONTAINING THE SAME ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1992-11-10 US disclosed
EP-0200024-B1 3-CYANO-PYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ARZNEIMITTELWERK DRESDEN GmbH (DE) 1992-07-01 EP disclosed
EP-0445553-A1 Compact crystalline 3-cyano-2-morpholino-5-(pyridyl-4)-pyridine with high bulk density and process for preparation ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-09-11 EP disclosed
EP-0445553-A1 Compact crystalline 3-cyano-2-morpholino-5-(pyridyl-4)-pyridine with high bulk density and process for preparation ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-09-11 EP disclosed
EP-0445553-A1 Compact crystalline 3-cyano-2-morpholino-5-(pyridyl-4)-pyridine with high bulk density and process for preparation ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-09-11 EP disclosed
EP-0445552-A1 3-Cyano-5,4'-bipyridine-1'-oxides, process for preparation and their pharmaceutical use ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-09-11 EP disclosed
EP-0200024-A2 3-Cyano-pyridines, process for their preparation and their pharmaceutical use ARZNEIMITTELWERK DRESDEN GmbH (DE) 1986-11-05 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KDM4E 192/4885RXFP1 2808/4885ALDH1A1 2240/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KDM4E 861/4885RXFP1 4270/4885ALDH1A1 785/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 KDM4E 731/4885RXFP1 4072/4885ALDH1A1 1588/4885

“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.