SCHEMBL4583089

SCHEMBL4583089

O=C(NC1CCN(c2nncc3ccc(Br)cc23)CC1)N(S)c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPK14 Q16539 2/20 0.38
PDGFRB P09619 1/20 0.35
PAK1 Q13153 3/20 0.35
LCK P06239 1/20 0.34
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
MAPK9 P45984 1/20 0.34
NPY5R Q15761 2/20 0.34
DRD4 P21917 3/20 0.34
PPARG P37231 1/20 0.34
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
EGLN1 Q9GZT9 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL4583307 0.93 MAPK14 (0.43) KMT2ALMNAMAPK14PDGFRBPAK1
SCHEMBL4582923 0.91 KMT2A (0.39) KMT2ALMNAMAPK14PDGFRBPAK1
SCHEMBL4583873 0.86 MAPK14 (0.40) KMT2ALMNAMAPK14PDGFRBPAK1
SCHEMBL4582797 0.84 MAPK14 (0.42) KMT2ALMNAMAPK14PDGFRBPAK1
SCHEMBL4582332 0.83 MAPK14 (0.38) KMT2ALMNAMAPK14PDGFRBPAK1
SCHEMBL4584007 0.81 OPRK1 (0.38) KMT2ALMNAMAPK14PAK1LCK
SCHEMBL4582146 0.81 MAPK14 (0.40) KMT2ALMNAMAPK14PAK1LCK
SCHEMBL4584121 0.79 MAPK14 (0.46) KMT2ALMNAMAPK14PDGFRBPAK1
SCHEMBL4582250 0.79 HRH4 (0.42) PAK1DRD4
SCHEMBL4583084 0.77 KMT2A (0.43) KMT2ALMNA

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
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

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 KMT2A 2513/4885LMNA 4575/4885MAPK14 3040/4885

“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.