SCHEMBL4591357

SCHEMBL4591357

N#Cc1cc(-c2ccncc2)cnc1NCCNC(=O)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.59
MAOB P27338 1/20 0.47
KMT2A Q03164 3/20 0.47
HIF1A Q16665 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
GRM4 Q14833 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
Water SCHEMBL7302779 0.84 CFTR (0.59) CFTRKMT2ASMN1; SMN2MEN1USP2
SCHEMBL4591354 0.84 CFTR (0.59) CFTRKMT2ASMN1; SMN2MEN1USP2
SCHEMBL4590994 0.84 HSD17B10 (0.48) CFTRKDM4EUSP2TSHRHSD17B10
SCHEMBL4590900 0.82 KDM4E (0.55) CFTRKMT2AKDM4EUSP2TSHR
SCHEMBL7291065 0.81 ROCK1 (0.46) CFTRKDM4EUSP2TSHRHSD17B10
SCHEMBL7293503 0.79 PRKCD (0.48) CFTRKDM4EUSP2TSHRHSD17B10
SCHEMBL7292623 0.78 PRKCD (0.44) CFTRKDM4EUSP2TSHRHSD17B10
SCHEMBL4590902 0.78 CFTR (0.40) CFTRSMN1; SMN2KDM4EUSP2TSHR
SCHEMBL7292620 0.76 KDM4E (0.50) KMT2AMEN1KDM4EUSP2TSHR
SCHEMBL7284439 0.76 PRKCH (0.46) KDM4E

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 6 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

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 CFTR 1636/4885MAOB 187/4885KMT2A 1283/4885

“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.