SCHEMBL4583873

SCHEMBL4583873

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.40
NPY5R Q15761 2/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
DRD4 P21917 3/20 0.36
PAK1 Q13153 3/20 0.35
LCK P06239 1/20 0.35
KIT P10721 1/20 0.35
KDR P35968 1/20 0.35
MAPK9 P45984 1/20 0.35
PDGFRB P09619 1/20 0.34
ADRA2A P08913 1/20 0.34
MCHR1 Q99705 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
PPARG P37231 1/20 0.32
ATM Q13315 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL4582332 0.93 MAPK14 (0.38) MAPK14NPY5RKMT2ALMNADRD4
SCHEMBL4584121 0.93 MAPK14 (0.46) MAPK14NPY5RKMT2ALMNADRD4
SCHEMBL4582146 0.90 MAPK14 (0.40) MAPK14NPY5RKMT2ALMNAPAK1
SCHEMBL4583089 0.86 KMT2A (0.40) MAPK14NPY5RKMT2ALMNADRD4
SCHEMBL4582588 0.86 MAPK14 (0.44) MAPK14NPY5RKMT2ALMNADRD4
SCHEMBL4584007 0.85 OPRK1 (0.38) MAPK14KMT2ALMNAPAK1LCK
SCHEMBL4582923 0.85 KMT2A (0.39) MAPK14NPY5RKMT2ALMNADRD4
SCHEMBL4583653 0.83 MAPK14 (0.45) MAPK14NPY5RKMT2ALMNAPAK1
SCHEMBL4581570 0.81 DRD4 (0.42) NPY5RKMT2ADRD4PAK1
SCHEMBL4583307 0.79 MAPK14 (0.43) MAPK14NPY5RKMT2ALMNADRD4

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 MAPK14 3040/4885NPY5R 1509/4885KMT2A 2513/4885

“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.