SCHEMBL4583403

SCHEMBL4583403

O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)N(S)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
PAK1 Q13153 5/20 0.46
PDGFRB P09619 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
CNR1 P21554 9/20 0.42
CNR2 P34972 8/20 0.42
SUV39H1 O43463 1/20 0.41
PRMT1 Q99873 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
STK4 Q13043 1/20 0.40
STK3 Q13188 1/20 0.40
LRRK2 Q5S007 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40

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
SCHEMBL4583193 0.91 CYP1A2 (0.50) CYP1A2CYP2D6PAK1PDGFRBMALT1
SCHEMBL4582930 0.86 CYP1A2 (0.53) CYP1A2CYP2D6PAK1PDGFRBCNR1
SCHEMBL4583140 0.86 ALDH1A1 (0.56) PDGFRB
SCHEMBL4582848 0.83 CYP1A2 (0.49) CYP1A2CYP2D6PAK1PDGFRBCNR1
SCHEMBL4024856 0.82 PAK1 (0.67) CYP1A2CYP2D6PAK1PDGFRBMALT1
SCHEMBL4583933 0.81 CNR1 (0.49) CYP1A2CYP2D6PAK1PDGFRBMALT1
SCHEMBL4582955 0.81 PDGFRB (0.49) PDGFRB
SCHEMBL4583794 0.81 CNR1 (0.49) CYP1A2CYP2D6PAK1PDGFRBMALT1
SCHEMBL4583240 0.79 MALT1 (0.49) PAK1MALT1CNR1CNR2
SCHEMBL4024568 0.79 PAK1 (0.68) CYP1A2CYP2D6PAK1PDGFRBMALT1

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
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
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 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.