SCHEMBL5129478

SCHEMBL5129478

Clc1cc2c(NCc3ccccc3)nc(-n3cccn3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.45
TBXAS1 P24557 3/20 0.42
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
EGFR P00533 1/20 0.41
APP P05067 1/20 0.41
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
VCP P55072 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5123682 0.92 HRH4 (0.41) PDE5AAPPHRH4MAPTMAPK1
SCHEMBL5116046 0.89 USP1 (0.41) PDE5A
SCHEMBL7618703 0.87 PDE5A (0.42) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5122004 0.85 ICAM1 (0.56) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5127643 0.85 PDE5A (0.45) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5115075 0.85 PDE5A (0.47) PDE5APDE3BPDE3AEGFRMAPT
SCHEMBL5114314 0.84 MEN1 (0.46) PDE5AAPPMAPT
SCHEMBL5131058 0.84 USP1 (0.42) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5124395 0.83 BCDIN3D (0.45) PDE5A
SCHEMBL5121505 0.83 CHRM4 (0.39) PDE5AEGFRKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 CN disclosed
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
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

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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 PDE5A 2002/4885TBXAS1 70/4885PDE3B 1604/4885

“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.