SCHEMBL4583191

SCHEMBL4583191

N#Cc1cccc(NC(=O)N(S)C2CCN(c3ncnc4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.56
JAK1 P23458 3/20 0.56
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 1/20 0.47
JAK3 P52333 1/20 0.44
TP53 P04637 1/20 0.44
PDGFRB P09619 1/20 0.43
MCHR1 Q99705 1/20 0.43
MAPT P10636 1/20 0.43
SIRT3 Q9NTG7 1/20 0.42
PAK1 Q13153 1/20 0.42
THRB P10828 1/20 0.41
BTK Q06187 1/20 0.41
USP30 Q70CQ3 1/20 0.41
CYP3A4 P08684 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
CCR5 P51681 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 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
SCHEMBL4583544 0.91 JAK2 (0.53) JAK2JAK1CYP1A2CYP2D6JAK3
SCHEMBL4584212 0.88 CYP1A2 (0.53) JAK1CYP1A2CYP2D6PDGFRBPAK1
SCHEMBL4583195 0.87 JAK2 (0.49) JAK2JAK1TP53PDGFRBMAPT
SCHEMBL4582265 0.85 CYP1A2 (0.47) JAK2JAK1CYP1A2CYP2D6PDGFRB
SCHEMBL4583134 0.85 PDGFRB (0.51) JAK1CYP1A2CYP2D6TP53PDGFRB
SCHEMBL4584639 0.82 PDGFRB (0.49) JAK2JAK1CYP1A2CYP2D6JAK3
SCHEMBL4583592 0.82 JAK2 (0.49) JAK2JAK1TP53PDGFRBMCHR1
SCHEMBL4582331 0.81 CYP1A2 (0.50) JAK1CYP1A2CYP2D6PDGFRBPAK1
SCHEMBL4581558 0.81 PDGFRB (0.53) JAK1CYP1A2CYP2D6PDGFRBPAK1
SCHEMBL4583185 0.81 CYP1A2 (0.49) JAK2JAK1CYP1A2CYP2D6TP53

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 JAK2 196/4885JAK1 548/4885CYP1A2 88/4885

“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.