SCHEMBL4583592

SCHEMBL4583592

N#Cc1cccc(NC(=O)N(S)C2CCN(c3ccnc4ccc(Cl)cc34)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
PDGFRB P09619 1/20 0.46
TP53 P04637 1/20 0.46
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
THRB P10828 2/20 0.43
MCHR1 Q99705 1/20 0.43
MAPT P10636 2/20 0.43
CDK8 P49336 2/20 0.41
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR6 P50406 2/20 0.41
USP30 Q70CQ3 1/20 0.41
CCNC P24863 1/20 0.41
CCR5 P51681 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4583195 0.93 JAK2 (0.49) JAK2JAK1PDGFRBTP53MAPT
SCHEMBL4582274 0.91 PDGFRB (0.50) JAK2PDGFRBIDO1TDO2MAPT
SCHEMBL4583524 0.88 PDGFRB (0.58) PDGFRBIDO1TDO2MAPTHTR1A
SCHEMBL4582489 0.86 TP53 (0.49) JAK2JAK1TP53THRBMCHR1
SCHEMBL4583861 0.85 PDGFRB (0.52) PDGFRBTP53MAPTCDK8HTR1A
SCHEMBL4584606 0.85 PDGFRB (0.46) PDGFRBMAPTHTR1AHTR1DHTR1B
SCHEMBL4583167 0.84 KDM4E (0.51) PDGFRBMAPTMEN1KMT2A
SCHEMBL4585528 0.82 PDGFRB (0.50) JAK1PDGFRBIDO1TDO2MAPT
SCHEMBL4583191 0.82 JAK2 (0.56) JAK2JAK1PDGFRBTP53THRB
SCHEMBL4583588 0.81 MEN1 (0.44) PDGFRBTP53IDO1TDO2CDK8

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
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 JAK2 196/4885JAK1 548/4885PDGFRB 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.