SCHEMBL5120032

SCHEMBL5120032

COc1ccc(CNc2nc(N3CCOCC3)nc3sc(C)c(C)c23)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.46
PDE5A O76074 8/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
BCDIN3D Q7Z5W3 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
SCHEMBL5129272 0.87 PDE5A (0.52) PDE5ABCDIN3D
SCHEMBL8181196 0.86 PDE5A (0.52) PDE5A
SCHEMBL5778132 0.85 KDM4E (0.47) BCL6PDE5AMEN1ALOX15KMT2A
SCHEMBL7020191 0.84 PDE5A (0.48) PDE5A
SCHEMBL8187992 0.84 PDE5A (0.47) PDE5A
SCHEMBL5130592 0.83 BCDIN3D (0.48) PDE5ABCDIN3D
SCHEMBL7017441 0.83 PDE5A (0.46) PDE5A
SCHEMBL5130824 0.82 PDE5A (0.49) PDE5AMEN1KMT2ABCDIN3D
SCHEMBL5116989 0.82 ALDH1A1 (0.47) PDE5AMEN1ALOX15KMT2A
SCHEMBL5122524 0.81 BCDIN3D (0.43) PDE5ABCDIN3D

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 3 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

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 BCL6 4224/4885PDE5A 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.