SCHEMBL4582816

SCHEMBL4582816

CSc1cccc(NC(=O)N(S)C2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CLK1 P49759 1/20 0.47
PDGFRB P09619 1/20 0.46
IDE P14735 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 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
SCHEMBL4584606 0.93 PDGFRB (0.46) MEN1KMT2AALDH1A1CLK1PDGFRB
SCHEMBL4582200 0.91 KDM4E (0.51) MEN1KMT2AALDH1A1CLK1PDGFRB
SCHEMBL4581522 0.88 PDGFRB (0.58) MEN1KMT2AALDH1A1CLK1PDGFRB
SCHEMBL4582265 0.87 CYP1A2 (0.47) MEN1KMT2APDGFRBMAPT
SCHEMBL4582320 0.87 KDM4E (0.53) MEN1KMT2AALDH1A1CLK1PDGFRB
SCHEMBL4582374 0.86 NPC1 (0.40) MEN1KMT2AMAPT
SCHEMBL4583195 0.85 JAK2 (0.49) MEN1KMT2AALDH1A1CLK1PDGFRB
SCHEMBL4582815 0.85 MAPK1 (0.51) MEN1KMT2AALDH1A1CLK1PDGFRB
SCHEMBL4585528 0.84 PDGFRB (0.50) MEN1KMT2AALDH1A1PDGFRBKDM4E
SCHEMBL4583300 0.82 GAA (0.57) MEN1KMT2AALDH1A1CLK1PDGFRB

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 MEN1 4553/4885KMT2A 2513/4885ALDH1A1 866/4885

“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.