SCHEMBL5127643

SCHEMBL5127643

Clc1cc2c(NCc3ccccc3)nc(-n3cncn3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.45
EGFR P00533 1/20 0.44
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
APP P05067 1/20 0.41
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
PDE10A Q9Y233 1/20 0.39
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
SCHEMBL5116245 0.89 HRH4 (0.41) PDE5AEGFRAPPHRH4PDE10A
SCHEMBL5125114 0.87 PDE10A (0.38) PDE5APDE10A
SCHEMBL7617169 0.87 EGFR (0.44) PDE5AEGFRTBXAS1PDE3BPDE3A
SCHEMBL5115436 0.85 ICAM1 (0.59) PDE5AEGFRTBXAS1PDE3BPDE3A
SCHEMBL5129478 0.85 PDE5A (0.45) PDE5AEGFRTBXAS1PDE3BPDE3A
SCHEMBL5122505 0.85 PDE5A (0.45) PDE5AEGFRPDE3BPDE3AMAPT
SCHEMBL5123344 0.84 EGFR (0.42) PDE5AEGFRTBXAS1PDE3BPDE3A
SCHEMBL5116266 0.83 TNF (0.45) PDE5AAPP
SCHEMBL5122046 0.83 PDE5A (0.67) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5116459 0.83 PDE5A (0.47) PDE5AEGFRTBXAS1PDE3BPDE3A

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 5 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
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
CN-1227560-A Thienopyrimidines MERCK PATENT GMBH (DE) 1999-09-01 CN 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 2002/4885EGFR 912/4885TBXAS1 70/4885

“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.