SCHEMBL4582847

SCHEMBL4582847

S=C(Nc1cccc(Br)c1)NC1CCN(c2ncnc3cc(Cl)ccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
PAK1 Q13153 1/20 0.49
EGFR P00533 8/20 0.48
PIM1 P11309 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
PDGFRB P09619 3/20 0.47
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
KIT P10721 1/20 0.42

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
SCHEMBL4728704 0.93 EGFR (0.46) CYP1A2CYP2D6PAK1EGFRPIM1
SCHEMBL4582925 0.93 PAK1 (0.57) CYP1A2CYP2D6PAK1PDGFRBMEN1
SCHEMBL4726802 0.90 PAK1 (0.54) CYP1A2CYP2D6PAK1PDGFRBMEN1
SCHEMBL4584207 0.90 CYP1A2 (0.56) CYP1A2CYP2D6PAK1PDGFRBMEN1
SCHEMBL4583131 0.87 PDGFRB (0.53) CYP1A2CYP2D6PAK1PDGFRB
SCHEMBL4583185 0.87 CYP1A2 (0.49) CYP1A2CYP2D6PAK1PDGFRBMEN1
SCHEMBL4582263 0.87 CYP1A2 (0.49) CYP1A2CYP2D6PAK1PDGFRBMEN1
SCHEMBL4583451 0.86 PKM (0.49) CYP1A2CYP2D6MEN1CYP3A4CYP2C19
SCHEMBL4583789 0.85 PAK1 (0.49) CYP1A2CYP2D6PAK1PDGFRBMEN1
SCHEMBL4583190 0.84 CYP1A2 (0.53) CYP1A2CYP2D6PAK1PDGFRBMEN1

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
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
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 CYP1A2 88/4885CYP2D6 247/4885PAK1 1907/4885

“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.