SCHEMBL4583326

SCHEMBL4583326

N#Cc1cccc(NC(=O)N(S)C2CCN(c3nncc4ccc(Br)cc34)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TP53 P04637 1/20 0.41
THRB P10828 2/20 0.41
CCR5 P51681 1/20 0.40
MAPT P10636 2/20 0.40
DCUN1D1 Q96GG9 1/20 0.39
HTR3A P46098 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
MCHR1 Q99705 5/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 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
SCHEMBL4583025 0.94 JAK2 (0.46) JAK2JAK1TP53THRBCCR5
SCHEMBL4582341 0.91 JAK2 (0.43) JAK2JAK1KMT2A
SCHEMBL4582539 0.88 PDGFRB (0.44) TP53MAPTDCUN1D1SMN1; SMN2KMT2A
SCHEMBL4584330 0.86 HCRTR1 (0.41) MAPTDCUN1D1SMN1; SMN2KMT2ATSHR
SCHEMBL4584115 0.85 MAPT (0.43) TP53MAPTDCUN1D1SMN1; SMN2KMT2A
SCHEMBL4581836 0.84 JAK2 (0.43) JAK2JAK1KMT2A
SCHEMBL4584227 0.83 PDGFRB (0.38) JAK2JAK1MAPTKMT2AALDH1A1
SCHEMBL4582504 0.81 PDGFRB (0.44) TP53MAPTDCUN1D1SMN1; SMN2KMT2A
SCHEMBL4583320 0.81 CCNC (0.40) TP53THRBMAPTKMT2AALDH1A1
SCHEMBL4583676 0.81 PDGFRB (0.43) JAK1TP53SMN1; SMN2KMT2ATSHR

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 JAK2 196/4885JAK1 548/4885TP53 4697/4885

“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.