SCHEMBL5118528

SCHEMBL5118528

Cc1nccn1-c1nc(NCc2cccc([N+](=O)[O-])c2)c2cc(Cl)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.43
KCNN3 Q9UGI6 1/20 0.42
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
EGFR P00533 4/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
IGF1R P08069 3/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
PTK2 Q05397 2/20 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
SCHEMBL5124980 0.91 PDE5A (0.44) PDE5AKCNN3MEN1MAPTKMT2A
SCHEMBL5128625 0.91 PDE5A (0.44) PDE5AKCNN3MEN1MAPTKMT2A
SCHEMBL5122163 0.89 PDE5A (0.42) PDE5AKCNN3MEN1MAPTKMT2A
SCHEMBL5124591 0.88 PDE5A (0.41) PDE5AKCNN3MEN1MAPTKMT2A
SCHEMBL7618072 0.86 PDE4A (0.45) PDE5AKCNN3MEN1MAPTKMT2A
SCHEMBL5122830 0.86 KCNN3 (0.42) PDE5AKCNN3MEN1MAPTKMT2A
SCHEMBL5115007 0.86 PDE5A (0.43) PDE5AEGFRPDE3BPDE3A
SCHEMBL5123053 0.84 MEN1 (0.41) PDE5AKCNN3MEN1MAPTKMT2A
SCHEMBL5129792 0.83 PDE5A (0.61) PDE5AKCNN3MEN1MAPTKMT2A
SCHEMBL5115075 0.83 PDE5A (0.47) PDE5AKCNN3MEN1MAPTKMT2A

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
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US 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 2002/4885KCNN3 3263/4885MEN1 696/4885

“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.