SCHEMBL5124239

SCHEMBL5124239

Cc1sc2nc(-n3cccn3)nc(NCc3cccc([N+](=O)[O-])c3)c2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 1/20 0.44
PDE5A O76074 4/20 0.41
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
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
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
PTK2 Q05397 2/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
EGFR P00533 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
LMNA P02545 1/20 0.36
IGF1R P08069 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
SCHEMBL5129570 0.91 PDE5A (0.42) KCNN3PDE5AMEN1MAPTKMT2A
SCHEMBL5123615 0.87 KCNN3 (0.42) KCNN3PDE5AMEN1MAPTKMT2A
SCHEMBL5129589 0.86 PDE5A (0.54) KCNN3PDE5AMEN1MAPTKMT2A
SCHEMBL5122830 0.86 KCNN3 (0.42) KCNN3PDE5AMEN1MAPTKMT2A
SCHEMBL5123265 0.85 ESR1 (0.38) PDE5AMAPTPDE3BPDE3AALDH1A1
SCHEMBL5128850 0.84 MEN1 (0.44) KCNN3PDE5AMEN1MAPTKMT2A
SCHEMBL5120899 0.84 MAPT (0.47) KCNN3PDE5AMEN1MAPTKMT2A
SCHEMBL5127988 0.83 PDE5A (0.47) KCNN3PDE5AMEN1MAPTKMT2A
SCHEMBL5115075 0.83 PDE5A (0.47) KCNN3PDE5AMEN1MAPTKMT2A
SCHEMBL5116164 0.83 ADORA2A (0.35) ALDH1A1LMNA

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 KCNN3 3263/4885PDE5A 2002/4885MEN1 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.