SCHEMBL4582925

SCHEMBL4582925

S=C(Nc1cccc(Cl)c1)NC1CCN(c2ncnc3cc(Cl)ccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.57
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
PDGFRB P09619 3/20 0.54
LMNA P02545 1/20 0.48
KIT P10721 1/20 0.45
MALT1 Q9UDY8 1/20 0.44
BTK Q06187 1/20 0.43

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
SCHEMBL4726802 0.97 PAK1 (0.54) PAK1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL4584207 0.93 CYP1A2 (0.56) PAK1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL4582847 0.93 CYP1A2 (0.52) PAK1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL4582263 0.90 CYP1A2 (0.49) PAK1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL4583185 0.90 CYP1A2 (0.49) PAK1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL4583131 0.90 PDGFRB (0.53) PAK1CYP1A2CYP2D6PDGFRBMALT1
SCHEMBL4583789 0.88 PAK1 (0.49) PAK1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL4584940 0.87 CYP1A2 (0.54) PAK1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL4726373 0.87 CYP1A2 (0.46) PAK1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL4728704 0.86 EGFR (0.46) PAK1CYP1A2CYP2D6MEN1KMT2A

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 5 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
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 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 PAK1 1907/4885CYP1A2 88/4885CYP2D6 247/4885

“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.