SCHEMBL5798360

SCHEMBL5798360

COc1ccc(CNc2nc(-n3ccnc3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.47
MAPT P10636 5/20 0.46
HTT P42858 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
KCNH2 Q12809 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 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
SCHEMBL5802113 0.92 MAPT (0.48) PDE5AMAPTHTTMEN1KMT2A
SCHEMBL7129570 0.90 HTT (0.48) PDE5AMAPTHTTMEN1KMT2A
SCHEMBL5777818 0.86 MAPT (0.45) PDE5AMAPTHTTMEN1KMT2A
SCHEMBL5781373 0.86 MAPT (0.45) PDE5AMAPTHTTMEN1KMT2A
SCHEMBL7127406 0.85 MAPT (0.47) PDE5AMAPTHTTMEN1KMT2A
SCHEMBL5114681 0.84 PDE5A (0.49) PDE5AMEN1KMT2ATBXAS1PDE3B
SCHEMBL5130824 0.84 PDE5A (0.49) PDE5AMEN1KMT2AKDM4EALDH1A1
SCHEMBL5778132 0.84 KDM4E (0.47) PDE5AMAPTHTTMEN1KMT2A
SCHEMBL7404512 0.84 MAPT (0.53) PDE5AMAPTHTTMEN1KMT2A
SCHEMBL5113910 0.83 PDE5A (0.49) PDE5AMEN1KMT2ATBXAS1PDE3B

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-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
EP-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed