SCHEMBL4335029

SCHEMBL4335029

O=C(O)CC1CCN(c2nncs2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.47
HRH3 Q9Y5N1 2/20 0.43
FFAR4 Q5NUL3 11/20 0.41
KHK P50053 2/20 0.38
HSD11B1 P28845 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL1026858 0.92 HRH3 (0.47) GLSHRH3FFAR4PDE4B
SCHEMBL28378104 0.88 GLS (0.40) GLSHRH3FFAR4KHK
Trifluoroacetic Acid SCHEMBL1027148 0.84 HRH3 (0.42) GLSHRH3FFAR4PDE4B
SCHEMBL1025896 0.78 HSD17B10 (0.50) HRH3FFAR4
SCHEMBL21135461 0.74 POLB (0.42) GLSHRH3KHK
SCHEMBL30455873 0.72 HRH3 (0.34) GLSHRH3
SCHEMBL4335035 0.71 HRH3 (0.59) GLSHRH3
SCHEMBL1074321 0.71 HRH3 (0.43) GLSHRH3FFAR4
SCHEMBL29973419 0.70 HRH3 (0.39) GLSHRH3
SCHEMBL12209978 0.70 NOTUM (0.58) HRH3FFAR4PDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK GLS 751/4885HRH3 1871/4885FFAR4 2075/4885

“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.