SCHEMBL4590994

SCHEMBL4590994

CC(=O)NCCNc1ncc(-c2ccncc2)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.48
CYP3A4 P08684 6/20 0.48
CYP1A2 P05177 6/20 0.48
ALDH1A1 P00352 6/20 0.48
ALOX15 P16050 4/20 0.48
CLK4 Q9HAZ1 3/20 0.48
CYP2C19 P33261 3/20 0.48
CFTR P13569 5/20 0.46
RECQL P46063 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 3/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 3/20 0.41
CYP2C9 P11712 1/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.39

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
SCHEMBL4590900 0.89 KDM4E (0.55) HSD17B10CYP3A4CYP1A2ALDH1A1ALOX15
SCHEMBL4590902 0.86 CFTR (0.40) HSD17B10CYP3A4CYP1A2ALDH1A1ALOX15
SCHEMBL7284204 0.84 TP53 (0.41) HSD17B10CYP3A4CYP1A2ALDH1A1CLK4
SCHEMBL4591357 0.84 CFTR (0.59) HSD17B10CFTRKDM4EUSP2TSHR
Water SCHEMBL7302779 0.83 CFTR (0.59) CYP3A4CYP1A2CFTRLMNAUSP2
SCHEMBL4591354 0.83 CFTR (0.59) CYP3A4CYP1A2CFTRLMNAUSP2
SCHEMBL7291065 0.83 ROCK1 (0.46) HSD17B10ALDH1A1CLK4CFTRKDM4E
SCHEMBL7284746 0.82 KDM4E (0.40) HSD17B10CYP3A4CYP1A2ALDH1A1CYP2C19
SCHEMBL11238008 0.81 GSK3A (0.45) CYP1A2ALDH1A1CLK4CYP2C19KDM4E
SCHEMBL7293503 0.81 PRKCD (0.48) HSD17B10ALDH1A1CLK4CFTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1741709-A1 Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP claimed
US-8518976-B2 e.g. 1-(3-(6-(2-fluorophenyl)pyridin-3-yl)propyl)-1H-pyridin-2-one; endothelial nitric oxide NO synthase inhibitor; antiinflammatory, hypotensive agent; atherosclerosis, thrombosis, coronary artery disease, and cardiac insufficiency SANOFI (FR) 2013-08-27 US disclosed
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 US disclosed
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
EP-1741709-A1 Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 WO 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-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 (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-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 HSD17B10 437/4885CYP3A4 248/4885CYP1A2 27/4885

“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.