SCHEMBL5115959

SCHEMBL5115959

COc1ccc(CNc2nc(-c3cccnc3)nc3sc([N+](=O)[O-])cc23)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.48
MAPT P10636 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
USP2 O75604 3/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
TSHR P16473 3/20 0.44
CYP2C19 P33261 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2C9 P11712 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
USP1 O94782 2/20 0.44
WDR48 Q8TAF3 2/20 0.44

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
SCHEMBL7506653 0.97 PDE5A (0.46) PDE5AMAPTMEN1KMT2AUSP2
SCHEMBL5124282 0.93 MEN1 (0.51) PDE5AMAPTMEN1KMT2AUSP2
SCHEMBL5130702 0.90 PDE5A (0.49) PDE5AMEN1KMT2A
SCHEMBL5127916 0.90 PDE5A (0.52) PDE5AMAPTMEN1KMT2AUSP2
SCHEMBL5124289 0.87 MAPT (0.51) PDE5AMAPTMEN1KMT2AUSP2
SCHEMBL5127403 0.87 PDE5A (0.46) PDE5A
SCHEMBL5118880 0.87 MAPT (0.50) PDE5AMAPTMEN1KMT2AUSP2
SCHEMBL5130321 0.85 MAPT (0.49) PDE5AMAPTMEN1KMT2AUSP2
SCHEMBL8178577 0.85 PDE5A (0.47) PDE5AMEN1KMT2A
SCHEMBL8184140 0.85 PDE5A (0.47) PDE5AMEN1KMT2AALDH1A1

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 4 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

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 2002/4885MAPT 2997/4885MEN1 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.