SCHEMBL4582489

SCHEMBL4582489

N#Cc1cccc(NC(=O)N(S)C2CCN(c3ccnc4c(Cl)cccc34)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
THRB P10828 2/20 0.45
MAPT P10636 2/20 0.42
MALT1 Q9UDY8 2/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CCR5 P51681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 2/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
GRM4 Q14833 1/20 0.40
PREP P48147 1/20 0.39
P2RX7 Q99572 1/20 0.38
BRAF P15056 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL4582643 0.92 JAK2 (0.42) TP53JAK2JAK1THRBMALT1
SCHEMBL4582723 0.88 MALT1 (0.44) MALT1PREP
SCHEMBL4583592 0.86 JAK2 (0.49) TP53JAK2JAK1THRBMAPT
SCHEMBL4583195 0.86 JAK2 (0.49) TP53JAK2JAK1MAPTCCR5
SCHEMBL4582374 0.85 NPC1 (0.40) MAPTSMN1; SMN2DCUN1D1GRM4
SCHEMBL4583692 0.85 MEN1 (0.49) TP53THRBMAPTMALT1CCNC
SCHEMBL4778924 0.84 SMN1; SMN2 (0.41) TP53MAPTSMN1; SMN2DCUN1D1
SCHEMBL4582613 0.83 MAPT (0.46) JAK1MAPTMALT1PREP
SCHEMBL4583284 0.82 POLB (0.39) MAPTSMN1; SMN2DCUN1D1PREP
SCHEMBL4581982 0.81 ALDH1A1 (0.42) MALT1SMN1; 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 4 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

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

“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.