SCHEMBL4582265

SCHEMBL4582265

CSc1cccc(NC(=O)N(S)C2CCN(c3ncnc4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
JAK1 P23458 2/20 0.46
PDGFRB P09619 5/20 0.45
JAK2 O60674 2/20 0.43
LMNA P02545 1/20 0.43
PAK1 Q13153 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
BTK Q06187 1/20 0.40
SUV39H1 O43463 1/20 0.40
PRMT1 Q99873 1/20 0.40
SMYD3 Q9H7B4 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
SCHEMBL4584639 0.91 PDGFRB (0.49) CYP1A2CYP2D6JAK1PDGFRBJAK2
SCHEMBL4584212 0.88 CYP1A2 (0.53) CYP1A2CYP2D6JAK1PDGFRBPAK1
SCHEMBL4583134 0.87 PDGFRB (0.51) CYP1A2CYP2D6JAK1PDGFRBMALT1
SCHEMBL4582816 0.87 MEN1 (0.48) PDGFRBMEN1MAPTKMT2A
SCHEMBL4583191 0.85 JAK2 (0.56) CYP1A2CYP2D6JAK1PDGFRBJAK2
SCHEMBL4583105 0.85 CYP1A2 (0.48) CYP1A2CYP2D6JAK1PDGFRBLMNA
SCHEMBL4581558 0.82 PDGFRB (0.53) CYP1A2CYP2D6JAK1PDGFRBPAK1
SCHEMBL4584606 0.82 PDGFRB (0.46) CYP1A2CYP2D6PDGFRBHCRTR1HCRTR2
SCHEMBL4582331 0.81 CYP1A2 (0.50) CYP1A2CYP2D6JAK1PDGFRBPAK1
SCHEMBL4583544 0.81 JAK2 (0.53) CYP1A2CYP2D6JAK1PDGFRBJAK2

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 247/4885JAK1 548/4885

“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.