SCHEMBL4583985

SCHEMBL4583985

N#Cc1cccc(NC(=O)N(S)C2CCN(c3nccc4ccccc34)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TP53 P04637 1/20 0.48
MALT1 Q9UDY8 1/20 0.46
THRB P10828 2/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
CCR5 P51681 1/20 0.44
MAPT P10636 2/20 0.42
GRM4 Q14833 1/20 0.41
CCR3 P51677 2/20 0.41
HTR2C P28335 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 1/20 0.40
LDHA P00338 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4583259 0.90 JAK2 (0.48) JAK2JAK1MALT1HTR2CHCAR2
SCHEMBL4582824 0.87 HCAR2 (0.48) MALT1HTR2CSMN1; SMN2HCAR2
SCHEMBL4583606 0.84 MALT1 (0.53) TP53MALT1DCUN1D1CCNCCDK8
SCHEMBL4584341 0.84 MALT1 (0.47) JAK2JAK1MALT1DCUN1D1MAPT
SCHEMBL4582077 0.81 MALT1 (0.47) JAK1MALT1MAPTHTR2CKMT2A
SCHEMBL4583025 0.81 JAK2 (0.46) JAK2JAK1TP53THRBDCUN1D1
SCHEMBL4582489 0.80 TP53 (0.49) JAK2JAK1TP53MALT1THRB
SCHEMBL4583191 0.80 JAK2 (0.56) JAK2JAK1TP53MALT1THRB
SCHEMBL4583980 0.79 CCNC (0.48) TP53MALT1THRBCCNCCDK8
SCHEMBL4583159 0.79 MALT1 (0.54) TP53MALT1DCUN1D1CCNCCDK8

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
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 196/4885JAK1 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.