SCHEMBL4581558

SCHEMBL4581558

COc1ccc(NC(=O)N(S)C2CCN(c3ncnc4cc(Cl)ccc34)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 13/20 0.53
PDGFRA P16234 3/20 0.51
JAK1 P23458 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MALT1 Q9UDY8 1/20 0.47
KIT P10721 1/20 0.46
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
FLT3 P36888 1/20 0.46
PAK1 Q13153 1/20 0.46
MTNR1B P49286 1/20 0.45

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
SCHEMBL4583134 0.91 PDGFRB (0.51) PDGFRBPDGFRAJAK1CYP1A2CYP2D6
SCHEMBL4584212 0.88 CYP1A2 (0.53) PDGFRBPDGFRAJAK1CYP1A2CYP2D6
SCHEMBL4584639 0.88 PDGFRB (0.49) PDGFRBPDGFRAJAK1CYP1A2CYP2D6
SCHEMBL4583300 0.86 GAA (0.57) PDGFRB
SCHEMBL4583544 0.86 JAK2 (0.53) PDGFRBPDGFRAJAK1CYP1A2CYP2D6
SCHEMBL4582265 0.82 CYP1A2 (0.47) PDGFRBPDGFRAJAK1CYP1A2CYP2D6
SCHEMBL4583204 0.81 PDGFRB (0.56) PDGFRB
SCHEMBL4583191 0.81 JAK2 (0.56) PDGFRBJAK1CYP1A2CYP2D6MALT1
SCHEMBL4583105 0.80 CYP1A2 (0.48) PDGFRBPDGFRAJAK1CYP1A2CYP2D6
SCHEMBL4582331 0.80 CYP1A2 (0.50) PDGFRBPDGFRAJAK1CYP1A2CYP2D6

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
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
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 129/4885PDGFRA 79/4885JAK1 548/4885

“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.