SCHEMBL4582332

SCHEMBL4582332

O=C(NC1CCN(c2nncc3ccc(Br)cc23)CC1)N(S)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.38
PAK1 Q13153 3/20 0.38
NPY5R Q15761 2/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35
LRRK2 Q5S007 1/20 0.35
DRD4 P21917 3/20 0.34
GPR6 P46095 1/20 0.34
LCK P06239 1/20 0.33
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
MAPK9 P45984 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL4582588 0.93 MAPK14 (0.44) MAPK14PAK1NPY5RKMT2ALMNA
SCHEMBL4583873 0.93 MAPK14 (0.40) MAPK14PAK1NPY5RKMT2ALMNA
SCHEMBL4582146 0.87 MAPK14 (0.40) MAPK14PAK1NPY5RKMT2ALMNA
SCHEMBL4584121 0.86 MAPK14 (0.46) MAPK14PAK1NPY5RKMT2ALMNA
SCHEMBL4582923 0.85 KMT2A (0.39) MAPK14PAK1NPY5RKMT2ALMNA
SCHEMBL4583089 0.83 KMT2A (0.40) MAPK14PAK1NPY5RKMT2ALMNA
SCHEMBL4584007 0.82 OPRK1 (0.38) MAPK14PAK1KMT2ALMNALCK
SCHEMBL4583653 0.80 MAPK14 (0.45) MAPK14PAK1NPY5RKMT2ALMNA
SCHEMBL4582797 0.79 MAPK14 (0.42) MAPK14PAK1NPY5RKMT2ALMNA
SCHEMBL4582329 0.78 KMT2A (0.50) PAK1KMT2ALMNAMEN1ALDH1A1

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 MAPK14 3040/4885PAK1 1907/4885NPY5R 1509/4885

“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.