SCHEMBL1022983

SCHEMBL1022983

COc1cccc(N2CCC(CC(=O)OC(=O)C(F)(F)F)CC2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.44
GAA P10253 1/20 0.40
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
RECQL P46063 1/20 0.39
USP30 Q70CQ3 1/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.38
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL1026537 0.88 GAA (0.41) GRM2GAAFFAR4KDM4E
SCHEMBL1024488 0.87 KDM4E (0.53) GRM2GAADRD2HTR2AHRH1
SCHEMBL4359206 0.86 DPP4 (0.43) GRM2GAAFFAR4KDM4E
Trifluoroacetic Acid SCHEMBL1022982 0.86 FFAR4 (0.48) GRM2GAADRD2HTR2AHRH1
SCHEMBL1025401 0.86 GAA (0.56) GRM2GAAFFAR4ADRA1DADRA1A
SCHEMBL13622683 0.83 GRM2 (0.47) GRM2GAADRD2HTR2AHRH1
SCHEMBL4355886 0.82 CHRM4 (0.48) DRD2FFAR4THRBDRD4DRD3
SCHEMBL1025133 0.75 GAA (0.38) GRM2GAAFFAR4DRD3
SCHEMBL4364982 0.75 CHRM4 (0.46) FFAR4KDM4E
SCHEMBL16792804 0.75 KDM4E (0.47) GRM2GAADRD2HTR2AHRH1

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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP 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 GRM2 2591/4885GAA 2377/4885DRD2 4537/4885

“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.