SCHEMBL4584940

SCHEMBL4584940

Cc1ccc(NC(=S)NC2CCN(c3ncnc4cc(Cl)ccc34)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 1/20 0.54
PAK1 Q13153 1/20 0.50
PDGFRB P09619 3/20 0.49
PDGFRA P16234 1/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4584207 0.90 CYP1A2 (0.56) CYP1A2CYP2D6PAK1PDGFRBPOLB
SCHEMBL4584633 0.90 CYP1A2 (0.52) CYP1A2CYP2D6PAK1PDGFRBPDGFRA
SCHEMBL4581555 0.90 PDGFRB (0.53) CYP1A2CYP2D6PAK1PDGFRBPDGFRA
SCHEMBL4583535 0.88 CYP1A2 (0.52) CYP1A2CYP2D6PDGFRBPDGFRAPOLB
SCHEMBL4583930 0.87 CYP1A2 (0.52) CYP1A2CYP2D6PAK1PDGFRBPDGFRA
SCHEMBL4582925 0.87 PAK1 (0.57) CYP1A2CYP2D6PAK1PDGFRBCYP3A4
SCHEMBL4726802 0.87 PAK1 (0.54) CYP1A2CYP2D6PAK1PDGFRBPOLB
SCHEMBL4582992 0.85
SCHEMBL4583169 0.85 CYP1A2 (0.53) CYP1A2CYP2D6PAK1PDGFRBALDH1A1
SCHEMBL4582847 0.84 CYP1A2 (0.52) CYP1A2CYP2D6PAK1PDGFRBCYP3A4

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 6 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
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.