SCHEMBL4582274

SCHEMBL4582274

N#Cc1ccc(NC(=O)N(S)C2CCN(c3ccnc4ccc(Cl)cc34)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.50
IDO1 P14902 3/20 0.49
TDO2 P48775 3/20 0.49
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDK8 P49336 2/20 0.43
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
HTR6 P50406 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4583167 0.93 KDM4E (0.51) PDGFRBKDM4EMAPTNPSR1MEN1
SCHEMBL4583592 0.91 JAK2 (0.49) PDGFRBIDO1TDO2JAK2MAPT
SCHEMBL4583524 0.88 PDGFRB (0.58) PDGFRBIDO1TDO2KDM4EMAPT
SCHEMBL4583204 0.86 PDGFRB (0.56) PDGFRBIDO1TDO2KDM4EMAPT
SCHEMBL4585528 0.86 PDGFRB (0.50) PDGFRBIDO1TDO2KDM4EMAPT
SCHEMBL4583195 0.84 JAK2 (0.49) PDGFRBJAK2KDM4EMAPTNPSR1
SCHEMBL4582643 0.83 JAK2 (0.42) IDO1TDO2JAK2JAK3
SCHEMBL4581522 0.81 PDGFRB (0.58) PDGFRBKDM4EMAPTNPSR1MEN1
SCHEMBL4583544 0.81 JAK2 (0.53) PDGFRBJAK2JAK3
SCHEMBL4584606 0.81 PDGFRB (0.46) PDGFRBMAPTHTR1AHTR1DHTR1B

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 PDGFRB 129/4885IDO1 1527/4885TDO2 1991/4885

“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.