SCHEMBL4583544

SCHEMBL4583544

N#Cc1ccc(NC(=O)N(S)C2CCN(c3ncnc4cc(Cl)ccc34)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.53
JAK3 P52333 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PDGFRB P09619 14/20 0.49
KIT P10721 2/20 0.49
PDGFRA P16234 2/20 0.49
FLT3 P36888 2/20 0.49
JAK1 P23458 2/20 0.47
SUV39H1 O43463 1/20 0.43
PRMT1 Q99873 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL4583191 0.91 JAK2 (0.56) JAK2JAK3CYP1A2CYP2D6PDGFRB
SCHEMBL4584212 0.88 CYP1A2 (0.53) CYP1A2CYP2D6PDGFRBPDGFRAJAK1
SCHEMBL4583167 0.86 KDM4E (0.51) PDGFRB
SCHEMBL4584639 0.86 PDGFRB (0.49) JAK2JAK3CYP1A2CYP2D6PDGFRB
SCHEMBL4581558 0.86 PDGFRB (0.53) CYP1A2CYP2D6PDGFRBKITPDGFRA
SCHEMBL4582274 0.81 PDGFRB (0.50) JAK2JAK3PDGFRB
SCHEMBL4582265 0.81 CYP1A2 (0.47) JAK2CYP1A2CYP2D6PDGFRBKIT
SCHEMBL4583134 0.81 PDGFRB (0.51) CYP1A2CYP2D6PDGFRBKITPDGFRA
SCHEMBL4582331 0.80 CYP1A2 (0.50) CYP1A2CYP2D6PDGFRBPDGFRAJAK1
SCHEMBL4583535 0.80 CYP1A2 (0.52) CYP1A2CYP2D6PDGFRBKITPDGFRA

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 196/4885JAK3 470/4885CYP1A2 88/4885

“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.