SCHEMBL5798508

SCHEMBL5798508

c1ccc(CNc2nc(-n3ccnc3)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.57
TBXAS1 P24557 2/20 0.54
PDE3B Q13370 2/20 0.54
PDE3A Q14432 2/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
PRKCI P41743 4/20 0.49
PRKCZ Q05513 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL5799775 0.91 MEN1 (0.53) PDE5APTGS2MEN1KMT2AHTT
SCHEMBL5801996 0.87 HTT (0.48) PDE5AMEN1KMT2AHTTMAPT
SCHEMBL7129570 0.87 HTT (0.48) PDE5AMEN1KMT2AHTTMAPT
SCHEMBL7450896 0.85 PDE5A (0.53) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5802113 0.84 MAPT (0.48) PDE5ATBXAS1PDE3BPDE3APTGS2
SCHEMBL5801995 0.84 NOS2 (0.46) PDE5AMEN1KMT2AHTTMAPT
SCHEMBL5798039 0.84 PTPN12 (0.47) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5781621 0.84 PDE5A (0.57) PDE5APTGS2MEN1KMT2AHTT
SCHEMBL7126312 0.83 PDE5A (0.59) PDE5AMEN1KMT2AHTTMAPT
SCHEMBL5798360 0.82 PDE5A (0.47) PDE5ATBXAS1PDE3BPDE3APTGS2

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-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-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US 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