SCHEMBL4581836

SCHEMBL4581836

N#Cc1ccc(NC(=O)N(S)C2CCN(c3nncc4cc(Br)ccc34)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
JAK3 P52333 1/20 0.43
PDGFRB P09619 4/20 0.38
JAK1 P23458 1/20 0.36
KDR P35968 3/20 0.36
MAPK14 Q16539 2/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
KIT P10721 3/20 0.34
PDGFRA P16234 1/20 0.34
FLT3 P36888 1/20 0.34
LCK P06239 1/20 0.33
MAPK9 P45984 1/20 0.33
PAK1 Q13153 1/20 0.33
EGFR P00533 1/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
DPP4 P27487 1/20 0.33
KDM1A O60341 1/20 0.32
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL4582341 0.93 JAK2 (0.43) JAK2JAK3PDGFRBJAK1KDR
SCHEMBL4583025 0.91 JAK2 (0.46) JAK2JAK1MAPK14KMT2A
SCHEMBL4582504 0.89 PDGFRB (0.44) PDGFRBKDRMAPK14LMNAKMT2A
SCHEMBL4582690 0.86 PDGFRB (0.38) JAK2JAK3PDGFRBJAK1KDR
SCHEMBL4583950 0.86 PDGFRB (0.43) PDGFRBJAK1KDRLMNAKMT2A
SCHEMBL4583326 0.84 JAK2 (0.46) JAK2JAK1KMT2A
SCHEMBL4582435 0.82 HCRTR1 (0.41) MAPK14LMNAKMT2A
SCHEMBL4582539 0.81 PDGFRB (0.44) PDGFRBKDRMAPK14LMNAKMT2A
SCHEMBL4582550 0.81 MAPT (0.43) PDGFRBKDRKMT2A
SCHEMBL4581833 0.80 SMN1; SMN2 (0.42) MAPK14LMNAKMT2APAK1

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 JAK2 196/4885JAK3 470/4885PDGFRB 129/4885

“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.