SCHEMBL4583131

SCHEMBL4583131

COc1cccc(NC(=S)NC2CCN(c3ncnc4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.53
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PAK1 Q13153 1/20 0.47
PDGFRA P16234 1/20 0.47
MALT1 Q9UDY8 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LIMK2 P53671 1/20 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
SCHEMBL4581555 0.90 PDGFRB (0.53) PDGFRBCYP1A2CYP2D6PAK1PDGFRA
SCHEMBL4582925 0.90 PAK1 (0.57) PDGFRBCYP1A2CYP2D6PAK1MALT1
SCHEMBL4726802 0.88 PAK1 (0.54) PDGFRBCYP1A2CYP2D6PAK1ALDH1A1
SCHEMBL4583789 0.87 PAK1 (0.49) PDGFRBCYP1A2CYP2D6PAK1MALT1
SCHEMBL4584207 0.87 CYP1A2 (0.56) PDGFRBCYP1A2CYP2D6PAK1ALDH1A1
SCHEMBL4582316 0.87 GAA (0.53) MAPTMAPK1
SCHEMBL4582847 0.87 CYP1A2 (0.52) PDGFRBCYP1A2CYP2D6PAK1
SCHEMBL4582263 0.86 CYP1A2 (0.49) PDGFRBCYP1A2CYP2D6PAK1PDGFRA
SCHEMBL4725033 0.85 MALT1 (0.47) PDGFRBCYP1A2CYP2D6PAK1PDGFRA
SCHEMBL4583185 0.84 CYP1A2 (0.49) PDGFRBCYP1A2CYP2D6PAK1ALDH1A1

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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP disclosed
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor PTGER2, PTGER1, PTGES2 PDGFRB 129/4885CYP1A2 88/4885CYP2D6 247/4885

“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.