SCHEMBL4583653

SCHEMBL4583653

COC(=O)c1cccc(N(S)C(=O)NC2CCN(c3nncc4cc(Br)ccc34)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.45
LCK P06239 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
MAPK9 P45984 1/20 0.40
OPRK1 P41145 13/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPY5R Q15761 1/20 0.34
CNR1 P21554 1/20 0.34
PAK1 Q13153 1/20 0.34
ADRA2A P08913 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL4582146 0.94 MAPK14 (0.40) MAPK14LCKKITKDRMAPK9
SCHEMBL4583032 0.91 MAPK14 (0.43) MAPK14LCKKITKDRMAPK9
SCHEMBL4584121 0.90 MAPK14 (0.46) MAPK14LCKKITKDRMAPK9
SCHEMBL4582588 0.87 MAPK14 (0.44) MAPK14LCKKITKDRMAPK9
SCHEMBL4584007 0.85 OPRK1 (0.38) MAPK14LCKKITKDRMAPK9
SCHEMBL4583873 0.83 MAPK14 (0.40) MAPK14LCKKITKDRMAPK9
SCHEMBL4583648 0.82 MAPK14 (0.46) MAPK14LCKKITKDRMAPK9
SCHEMBL4582965 0.81 MALT1 (0.45) CNR1PAK1MCHR1
SCHEMBL4583307 0.81 MAPK14 (0.43) MAPK14LCKKITKDRMAPK9
SCHEMBL4582332 0.80 MAPK14 (0.38) MAPK14LCKKITKDRMAPK9

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 3040/4885LCK 2730/4885KIT 2834/4885

“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.