SCHEMBL4582848

SCHEMBL4582848

O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)N(S)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PAK1 Q13153 7/20 0.44
PDGFRB P09619 2/20 0.41
STK4 Q13043 1/20 0.41
STK3 Q13188 1/20 0.41
LRRK2 Q5S007 1/20 0.41
SUV39H1 O43463 2/20 0.39
PRMT1 Q99873 2/20 0.39
SMYD3 Q9H7B4 2/20 0.39
CNR1 P21554 3/20 0.38
KIT P10721 2/20 0.38
CNR2 P34972 2/20 0.38

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
SCHEMBL4582930 0.93 CYP1A2 (0.53) CYP1A2CYP2D6PAK1PDGFRBSTK4
SCHEMBL4583456 0.87 ALDH1A1 (0.51)
SCHEMBL4583794 0.87 CNR1 (0.49) CYP1A2CYP2D6PAK1PDGFRBSTK4
SCHEMBL4583193 0.85 CYP1A2 (0.50) CYP1A2CYP2D6PAK1PDGFRBSTK4
SCHEMBL4583403 0.83 CYP1A2 (0.52) CYP1A2CYP2D6PAK1PDGFRBSTK4
SCHEMBL4022823 0.83 CYP1A2 (0.53) CYP1A2CYP2D6PAK1PDGFRBSUV39H1
SCHEMBL4583933 0.82 CNR1 (0.49) CYP1A2CYP2D6PAK1PDGFRBSTK4
SCHEMBL4583914 0.82 PDGFRB (0.45) PDGFRB
SCHEMBL4582322 0.79 ALDH1A1 (0.54)
SCHEMBL4581570 0.79 DRD4 (0.42) PAK1

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 3 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
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.