SCHEMBL5113760

SCHEMBL5113760

Cc1sc2nc(-c3ccno3)nc(NCc3cccc([N+](=O)[O-])c3)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.43
KCNN3 Q9UGI6 1/20 0.42
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 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
EGFR P00533 4/20 0.37
IGF1R P08069 3/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL5122440 0.91 PDE5A (0.44) PDE5AKCNN3MAPTMEN1KMT2A
SCHEMBL5131068 0.85 PDE5A (0.52) PDE5AKCNN3MAPTMEN1KMT2A
SCHEMBL5126030 0.85 PRKCI (0.38) PDE5AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL5122349 0.84 PDE5A (0.44) PDE5AKCNN3MAPTMEN1KMT2A
SCHEMBL5123408 0.84 PDE5A (0.46) PDE5AKCNN3MAPTMEN1KMT2A
SCHEMBL5120899 0.84 MAPT (0.47) PDE5AKCNN3MAPTMEN1KMT2A
SCHEMBL5130386 0.83 PDE5A (0.49) PDE5AKCNN3MAPTMEN1KMT2A
SCHEMBL5123397 0.83 PDE5A (0.49) PDE5AKCNN3MAPTMEN1KMT2A
SCHEMBL5114649 0.83 PDE5A (0.54) PDE5AKCNN3MAPTMEN1KMT2A
SCHEMBL5115389 0.82 PDE5A (0.42) PDE5AKCNN3MAPTMEN1KMT2A

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
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-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US 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 3263/4885MAPT 2997/4885

“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.