SCHEMBL4583930

SCHEMBL4583930

COC(=O)c1ccc(NC(=S)NC2CCN(c3ncnc4cc(Cl)ccc34)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
PDGFRB P09619 4/20 0.49
PDGFRA P16234 2/20 0.49
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
MAPT P10636 1/20 0.47
SUV39H1 O43463 1/20 0.47
PRMT1 Q99873 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
MALT1 Q9UDY8 1/20 0.45
KIT P10721 1/20 0.45
PAK1 Q13153 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
SCHEMBL4583789 0.91 PAK1 (0.49) CYP1A2CYP2D6MEN1KMT2APDGFRB
SCHEMBL4728602 0.90 PAK1 (0.44) CYP1A2CYP2D6MEN1CYP2C9CYP2C19
SCHEMBL4581555 0.89 PDGFRB (0.53) CYP1A2CYP2D6PDGFRBPDGFRAPAK1
SCHEMBL4584940 0.87 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19PDGFRBPDGFRA
SCHEMBL4583394 0.87 MEN1 (0.53) CYP1A2CYP2D6MEN1CYP2C9CYP2C19
SCHEMBL4584207 0.85 CYP1A2 (0.56) CYP1A2CYP2D6MEN1KMT2APDGFRB
SCHEMBL4729369 0.85 ROCK2 (0.45) CYP1A2CYP2D6MEN1KMT2APDGFRB
SCHEMBL4584633 0.85 CYP1A2 (0.52) CYP1A2CYP2D6PDGFRBPDGFRAMAPT
SCHEMBL4583535 0.83 CYP1A2 (0.52) CYP1A2CYP2D6PDGFRBPDGFRAMAPT
SCHEMBL4583131 0.83 PDGFRB (0.53) CYP1A2CYP2D6PDGFRBPDGFRAMAPT

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
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

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 CYP1A2 88/4885CYP2D6 247/4885MEN1 4553/4885

“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.