Sugi Predict

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SCHEMBL4584227

SCHEMBL4584227

CSc1ccc(NC(=O)N(S)C2CCN(c3nncc4ccc(Br)cc34)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ GPR6 P46095 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ OPRK1 P41145 1/20 0.31
▸ FPR2 P25090 1/20 0.31

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
SCHEMBL4582690 0.93 PDGFRB (0.38) PDGFRBRXFP1MAPTLMNAKMT2A
SCHEMBL4584330 0.92 HCRTR1 (0.41) MAPTLMNAKMT2AALDH1A1HCRTR1
SCHEMBL4582539 0.89 PDGFRB (0.44) PDGFRBRXFP1MAPTLMNAKMT2A
SCHEMBL4583676 0.88 PDGFRB (0.43) PDGFRBRXFP1LMNAKMT2AJAK1
SCHEMBL4582341 0.86 JAK2 (0.43) PDGFRBLMNAKMT2AJAK1PAK1
SCHEMBL4582359 0.86 LMNA (0.39) PDGFRBRXFP1MAPTLMNAKMT2A
SCHEMBL4582435 0.85 HCRTR1 (0.41) MAPTLMNAKMT2AALDH1A1HCRTR1
SCHEMBL4584115 0.83 MAPT (0.43) PDGFRBMAPTKMT2AALDH1A1
SCHEMBL4583326 0.83 JAK2 (0.46) MAPTKMT2AJAK1ALDH1A1JAK2
SCHEMBL4582504 0.81 PDGFRB (0.44) PDGFRBRXFP1MAPTLMNAKMT2A

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 PDGFRB 129/4885RXFP1 1370/4885MAPT 4796/4885

“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.