SCHEMBL3777152

SCHEMBL3777152

O=C(O)c1c[nH]nc1-c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.46
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
CYP1A2 P05177 1/20 0.37
PDPK1 O15530 1/20 0.37
TRPM4 Q8TD43 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
ACMSD Q8TDX5 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIA1 P42261 1/20 0.33

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
SCHEMBL31722782 0.74 ECE1 (0.40) ECE1ADORA2AADORA1CYP1A2PDPK1
SCHEMBL23701644 0.73 ADORA2A (0.44) ECE1ADORA2AADORA1PDPK1ALDH1A1
SCHEMBL12320484 0.73 ADORA2A (0.41) ECE1ADORA2AADORA1PDPK1SMPD3
SCHEMBL17793760 0.72 KDM4E (0.65) ECE1CYP1A2PDPK1ALDH1A1KDM4E
SCHEMBL23719294 0.70 PIM1 (0.54) ADORA2AADORA1CYP1A2CDK2GSK3B
SCHEMBL12277372 0.69 ADORA2A (0.43) ECE1ADORA2AADORA1PDPK1SMPD3
SCHEMBL26643045 0.69 ECE1 (0.44) ECE1CYP1A2PDPK1ALDH1A1KDM4E
SCHEMBL4859665 0.69 ADORA2A (0.44) ECE1ADORA2AADORA1PDPK1PTGDR2
SCHEMBL25353607 0.68 PIN1 (0.49) CYP1A2CCNE2CCNE1CDK2ALDH1A1
SCHEMBL415485 0.67 KDM4E (0.55) ACMSDALDH1A1KDM4ETP53SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197551-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2010-06-23 EP claimed
WO-2009032249-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK & CO., INC. (US) 2009-03-12 WO claimed
US-7358267-B2 Bis-aryl thiazole derivatives AMGEN INC. (US) 2008-04-15 US disclosed
US-20050215608-A1 Bis-aryl thiazole derivatives AMGEN INC. 2005-09-29 US disclosed
WO-2003002062-A2 BIS-ARYL THIAZOLE DERIVATIVES TULARIK INC. (US) 2003-01-09 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-20050215608-A1 Bis-aryl thiazole derivatives FABP4, PC, TXNRD2 ECE1 3199/4885ADORA2A 3169/4885ADORA1 4398/4885

“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.