SCHEMBL5129130

SCHEMBL5129130

Clc1cc2c(NCCc3ccc4c(c3)OCO4)nc(-n3ccnc3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 17/20 0.51
NOS1 P29475 7/20 0.50
PDE5A O76074 2/20 0.46
BCDIN3D Q7Z5W3 1/20 0.42

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
SCHEMBL5115231 0.91 NOS2 (0.49) NOS2NOS1PDE5A
SCHEMBL5129011 0.89 NOS2 (0.55) NOS2NOS1PDE5ABCDIN3D
SCHEMBL5128257 0.89 NOS2 (0.52) NOS2NOS1PDE5ABCDIN3D
SCHEMBL5118565 0.87 NOS2 (0.49) NOS2NOS1PDE5A
SCHEMBL5122859 0.86 BCDIN3D (0.43) NOS2NOS1PDE5ABCDIN3D
SCHEMBL5122364 0.85 NOS2 (0.49) NOS2NOS1PDE5A
SCHEMBL7618417 0.85 NOS2 (0.52) NOS2NOS1PDE5A
SCHEMBL5124771 0.85 NOS2 (0.48) NOS2NOS1PDE5A
SCHEMBL5122412 0.85 BCDIN3D (0.43) NOS2NOS1PDE5ABCDIN3D
SCHEMBL8205700 0.84 NOS2 (0.49) NOS2NOS1PDE5ABCDIN3D

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 NOS2 724/4885NOS1 1006/4885PDE5A 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.