SCHEMBL13622683

SCHEMBL13622683

COc1cccc(N2CCC(CC(=O)O)CC2)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
FFAR4 Q5NUL3 10/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.43
THRB P10828 1/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL1022982 0.94 FFAR4 (0.48) GRM2FFAR4ADRA1DADRA1AADRA1B
SCHEMBL13622681 0.84 FFAR4 (0.54) GRM2FFAR4GAA
SCHEMBL1022983 0.83 GRM2 (0.44) GRM2FFAR4ADRA1DADRA1AADRA1B
SCHEMBL13669963 0.82 FFAR4 (0.48) FFAR4ADRA1DADRA1AADRA1BGAA
SCHEMBL13622662 0.82 GAA (0.67) GRM2FFAR4ADRA1DADRA1AADRA1B
SCHEMBL13622686 0.82 KDM4E (0.62) GRM2FFAR4GAADRD2HTR2A
SCHEMBL16792804 0.81 KDM4E (0.47) GRM2GAARECQLTHRBDRD2
SCHEMBL13622678 0.79 KHK (0.48) GRM2FFAR4GAA
Trifluoroacetic Acid SCHEMBL1026535 0.79 FFAR4 (0.52) FFAR4GAA
SCHEMBL13622664 0.77 FFAR4 (0.56) FFAR4DRD2

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
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
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US 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 GRM2 2591/4885FFAR4 2075/4885ADRA1D 4511/4885

“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.