SCHEMBL5128552

SCHEMBL5128552

O=[N+]([O-])c1cc2c(NCc3ccc4c(c3)OCO4)nc(-c3cnccn3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDE5A O76074 8/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL5128405 0.95 MAPT (0.41) MAPTNPSR1PDE5AKDM4ECYP1A2
SCHEMBL5128548 0.92 BCDIN3D (0.39) MAPTNPSR1PDE5AKDM4ECYP1A2
SCHEMBL5128928 0.89 USP1 (0.47) MAPTNPSR1PDE5ACYP1A2CYP3A4
SCHEMBL7618696 0.87 ADORA2A (0.36) MAPTNPSR1PDE5ANPC1RAB9A
SCHEMBL5124467 0.87 MAPT (0.64) MAPTNPSR1PDE5AKDM4ECYP1A2
SCHEMBL5124147 0.86 MAPT (0.49) MAPTNPSR1PDE5AKDM4ECYP1A2
SCHEMBL5121879 0.85 MAPT (0.50) MAPTNPSR1PDE5AKDM4ECYP1A2
SCHEMBL5122159 0.85 MAPT (0.50) MAPTNPSR1PDE5AKDM4ECYP1A2
SCHEMBL5125618 0.85 MAPT (0.50) MAPTNPSR1PDE5AKDM4ECYP1A2
SCHEMBL5120999 0.85 HTT (0.42) MAPTPDE5AKDM4EUSP1WDR48

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.