SCHEMBL4583259

SCHEMBL4583259

N#Cc1ccc(NC(=O)N(S)C2CCN(c3nccc4ccccc34)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.48
JAK3 P52333 1/20 0.48
MALT1 Q9UDY8 2/20 0.45
HTR2C P28335 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
JAK1 P23458 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
KDR P35968 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 1/20 0.38
SORD Q00796 1/20 0.37
DPP4 P27487 2/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL4583985 0.90 JAK2 (0.51) JAK2MALT1HTR2CHCAR2JAK1
SCHEMBL4582824 0.89 HCAR2 (0.48) MALT1HTR2CHCAR2HRH4PDGFRB
SCHEMBL4582077 0.85 MALT1 (0.47) MALT1HTR2CHCAR2JAK1HRH4
SCHEMBL4583159 0.85 MALT1 (0.54) MALT1HCAR2HRH4PDGFRB
SCHEMBL4584341 0.79 MALT1 (0.47) JAK2MALT1HCAR2JAK1HRH4
SCHEMBL4583606 0.79 MALT1 (0.53) MALT1KDRHTR1AKIT
SCHEMBL4582643 0.79 JAK2 (0.42) JAK2JAK3MALT1JAK1IDO1
SCHEMBL4584132 0.79 HCAR2 (0.46) MALT1HTR2CHCAR2HRH4SORD
SCHEMBL4583253 0.78 HTR2C (0.45) MALT1HTR2CHRH4
SCHEMBL4581836 0.78 JAK2 (0.43) JAK2JAK3JAK1KDRIDO1

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
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

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 JAK2 196/4885JAK3 470/4885MALT1 628/4885

“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.