SCHEMBL4583193

SCHEMBL4583193

O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)N(S)c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
PDGFRB P09619 1/20 0.43
PAK1 Q13153 8/20 0.42
SUV39H1 O43463 1/20 0.40
PRMT1 Q99873 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CNR1 P21554 5/20 0.39
MALT1 Q9UDY8 1/20 0.38
CNR2 P34972 3/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
AKT3 Q9Y243 1/20 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
SCHEMBL4583403 0.91 CYP1A2 (0.52) CYP1A2CYP2D6PDGFRBPAK1SUV39H1
SCHEMBL4582469 0.87 ALDH1A1 (0.52) PDGFRB
SCHEMBL4582848 0.85 CYP1A2 (0.49) CYP1A2CYP2D6PDGFRBPAK1SUV39H1
SCHEMBL4582930 0.85 CYP1A2 (0.53) CYP1A2CYP2D6PDGFRBPAK1SUV39H1
SCHEMBL4017800 0.83 PAK1 (0.55) CYP1A2CYP2D6PDGFRBPAK1SUV39H1
SCHEMBL4582252 0.81 PDGFRB (0.47) PDGFRB
SCHEMBL4583933 0.79 CNR1 (0.49) CYP1A2CYP2D6PDGFRBPAK1SUV39H1
SCHEMBL4583794 0.79 CNR1 (0.49) CYP1A2CYP2D6PDGFRBPAK1SUV39H1
SCHEMBL4582250 0.78 HRH4 (0.42) PAK1MALT1
SCHEMBL4583140 0.78 ALDH1A1 (0.56) PDGFRB

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 247/4885PDGFRB 129/4885

“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.