SCHEMBL5124147

SCHEMBL5124147

O=[N+]([O-])c1cc2c(NCc3ccc4c(c3)OCO4)nc(-c3ccncc3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDE5A O76074 3/20 0.46
HSD17B10 Q99714 5/20 0.43
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C19 P33261 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
TP53 P04637 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP2C9 P11712 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP1 O94782 1/20 0.43
WDR48 Q8TAF3 1/20 0.43

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
SCHEMBL5116980 0.95 MAPT (0.43) MAPTNPSR1PDE5AHSD17B10CYP1A2
SCHEMBL5113942 0.91 PRKCI (0.44) MAPTNPSR1PDE5AHSD17B10CYP1A2
SCHEMBL5124467 0.90 MAPT (0.64) MAPTNPSR1PDE5AHSD17B10CYP1A2
SCHEMBL8179417 0.89 PDE5A (0.49) MAPTNPSR1PDE5AHSD17B10CYP1A2
SCHEMBL7516851 0.87 PRKCI (0.41) MAPTNPSR1PDE5AHSD17B10CYP1A2
SCHEMBL8181766 0.87 ALDH1A1 (0.45) MAPTNPSR1PDE5AHSD17B10CYP1A2
SCHEMBL5128552 0.86 MAPT (0.47) MAPTNPSR1PDE5AHSD17B10CYP1A2
SCHEMBL5128637 0.86 PDE5A (0.45) MAPTNPSR1PDE5AHSD17B10CYP1A2
SCHEMBL7617623 0.86 PRKCI (0.44) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5128928 0.85 USP1 (0.47) MAPTNPSR1PDE5AHSD17B10CYP1A2

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 MAPT 2997/4885NPSR1 3053/4885PDE5A 2002/4885

“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.