SCHEMBL4583134

SCHEMBL4583134

COc1cccc(NC(=O)N(S)C2CCN(c3ncnc4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 9/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MALT1 Q9UDY8 1/20 0.47
LIMK2 P53671 1/20 0.46
PDGFRA P16234 2/20 0.45
BTK Q06187 1/20 0.45
KIT P10721 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
JAK1 P23458 1/20 0.44
MAPT P10636 1/20 0.44
MTNR1B P49286 1/20 0.43
CSF1R P07333 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42

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
SCHEMBL4581558 0.91 PDGFRB (0.53) PDGFRBCYP1A2CYP2D6MALT1PDGFRA
SCHEMBL4584212 0.88 CYP1A2 (0.53) PDGFRBCYP1A2CYP2D6MALT1PDGFRA
SCHEMBL4582265 0.87 CYP1A2 (0.47) PDGFRBCYP1A2CYP2D6MALT1PDGFRA
SCHEMBL4582320 0.87 KDM4E (0.53) PDGFRBKDM4EMEN1TP53TSHR
SCHEMBL4583191 0.85 JAK2 (0.56) PDGFRBCYP1A2CYP2D6MALT1BTK
SCHEMBL4584639 0.82 PDGFRB (0.49) PDGFRBCYP1A2CYP2D6MALT1PDGFRA
SCHEMBL4583861 0.82 PDGFRB (0.52) PDGFRBKDM4EMEN1TP53TSHR
SCHEMBL4582331 0.81 CYP1A2 (0.50) PDGFRBCYP1A2CYP2D6MALT1PDGFRA
SCHEMBL4583544 0.81 JAK2 (0.53) PDGFRBCYP1A2CYP2D6PDGFRAKIT
SCHEMBL4583131 0.81 PDGFRB (0.53) PDGFRBCYP1A2CYP2D6MALT1LIMK2

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-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.