SCHEMBL4583676

SCHEMBL4583676

COc1ccc(NC(=O)N(S)C2CCN(c3nncc4ccc(Br)cc34)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.43
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
PAK1 Q13153 1/20 0.38
TSHR P16473 1/20 0.38
NR4A1 P22736 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CDK1 P06493 1/20 0.36
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL4583950 0.93 PDGFRB (0.43) PDGFRBHPGDNPSR1TP53LMNA
SCHEMBL4584115 0.91 MAPT (0.43) PDGFRBTP53MEN1KMT2AKDR
SCHEMBL4582539 0.89 PDGFRB (0.44) PDGFRBTP53LMNAMEN1KMT2A
SCHEMBL4584227 0.88 PDGFRB (0.38) PDGFRBLMNAKMT2ARXFP1PAK1
SCHEMBL4582341 0.86 JAK2 (0.43) PDGFRBLMNAKMT2AEGFRKDR
SCHEMBL4582550 0.84 MAPT (0.43) PDGFRBTP53MEN1KMT2AKDR
SCHEMBL4584330 0.83 HCRTR1 (0.41) NPSR1LMNAMEN1KMT2ATSHR
SCHEMBL4582504 0.81 PDGFRB (0.44) PDGFRBTP53LMNAKMT2ARXFP1
SCHEMBL4582690 0.81 PDGFRB (0.38) PDGFRBLMNAKMT2ARXFP1KDR
SCHEMBL4583326 0.81 JAK2 (0.46) TP53KMT2ATSHRSMN1; SMN2MCHR1

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 129/4885HPGD 128/4885NPSR1 505/4885

“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.