SCHEMBL4583945

SCHEMBL4583945

COc1ccc(NC(=S)NC2CCN(c3nncc4cc(Br)ccc34)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
KDR P35968 1/20 0.46
PAK1 Q13153 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4583673 0.93 EGFR (0.48) EGFRKDRPAK1MAOAMAOB
SCHEMBL4725551 0.91 EGFR (0.43) EGFRKDRSMN1; SMN2
SCHEMBL4582547 0.91 MAPT (0.44) RAB9A
SCHEMBL4583133 0.90 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2
SCHEMBL4729802 0.90 EGFR (0.46) EGFRKDR
SCHEMBL4583028 0.89 MEN1 (0.51) KDRSMN1; SMN2
SCHEMBL4582502 0.88 KMT2A (0.48) EGFRKDRRAB9ASMN1; SMN2
SCHEMBL4582683 0.88 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2
SCHEMBL4725020 0.87 MAPT (0.44) RAB9ASMN1; SMN2
SCHEMBL4581833 0.86 SMN1; SMN2 (0.42) PAK1RAB9ASMN1; SMN2

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 EGFR 1706/4885KDR 968/4885PAK1 1907/4885

“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.