SCHEMBL4583789

SCHEMBL4583789

COC(=O)c1cccc(NC(=S)NC2CCN(c3ncnc4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.49
PDGFRB P09619 2/20 0.49
CNR1 P21554 2/20 0.48
ROCK2 O75116 3/20 0.48
PRKACA P17612 3/20 0.48
PRKACG P22612 3/20 0.48
PRKACB P22694 3/20 0.48
LIMK1 P53667 3/20 0.48
LIMK2 P53671 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
MALT1 Q9UDY8 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL4729369 0.94 ROCK2 (0.45) PAK1PDGFRBCNR1ROCK2PRKACA
SCHEMBL4583930 0.91 CYP1A2 (0.52) PAK1PDGFRBCNR1CYP1A2CYP2D6
SCHEMBL4728602 0.88 PAK1 (0.44) PAK1PDGFRBCNR1CYP1A2CYP2D6
SCHEMBL4582925 0.88 PAK1 (0.57) PAK1PDGFRBCYP1A2CYP2D6MEN1
SCHEMBL4581838 0.88 KDM4E (0.49) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4583131 0.87 PDGFRB (0.53) PAK1PDGFRBLIMK2CYP1A2CYP2D6
SCHEMBL4726802 0.85 PAK1 (0.54) PAK1PDGFRBCYP1A2CYP2D6MAPT
SCHEMBL4584207 0.85 CYP1A2 (0.56) PAK1PDGFRBCYP1A2CYP2D6MAPT
SCHEMBL4582847 0.85 CYP1A2 (0.52) PAK1PDGFRBCYP1A2CYP2D6MEN1
SCHEMBL4582263 0.84 CYP1A2 (0.49) PAK1PDGFRBCYP1A2CYP2D6MEN1

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
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 PAK1 1907/4885PDGFRB 129/4885CNR1 63/4885

“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.