SCHEMBL4582320

SCHEMBL4582320

COc1cccc(NC(=O)N(S)C2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
PDGFRB P09619 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CLK1 P49759 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL4583861 0.93 PDGFRB (0.52) KDM4EPDGFRBMAPTMAPK1GAA
SCHEMBL4583300 0.91 GAA (0.57) KDM4EPDGFRBMAPTMAPK1GAA
SCHEMBL4581522 0.88 PDGFRB (0.58) KDM4EPDGFRBMAPTMAPK1MEN1
SCHEMBL4582816 0.87 MEN1 (0.48) KDM4EPDGFRBMAPTMAPK1MEN1
SCHEMBL4583134 0.87 PDGFRB (0.51) KDM4EPDGFRBMAPTMEN1KMT2A
SCHEMBL4583692 0.86 MEN1 (0.49) KDM4EMAPTMEN1KMT2ATP53
SCHEMBL4583195 0.85 JAK2 (0.49) KDM4EPDGFRBMAPTMAPK1MEN1
SCHEMBL4583204 0.84 PDGFRB (0.56) KDM4EPDGFRBMAPTGAA
SCHEMBL4582200 0.82 KDM4E (0.51) KDM4EPDGFRBMAPTMEN1KMT2A
SCHEMBL27632419 0.82 KDM4E (0.73) KDM4EPDGFRBMAPTMAPK1MEN1

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 4 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

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 KDM4E 4022/4885PDGFRB 129/4885MAPT 4796/4885

“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.