SCHEMBL1026537

SCHEMBL1026537

Cc1cccc(N2CCC(CC(=O)OC(=O)C(F)(F)F)CC2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
FFAR4 Q5NUL3 6/20 0.41
KDM4E B2RXH2 1/20 0.39
GRM2 Q14416 9/20 0.38
CHRM4 P08173 1/20 0.37
FFAR1 O14842 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1024488 0.89 KDM4E (0.53) GAAFFAR4KDM4EGRM2CHRM4
SCHEMBL1022983 0.88 GRM2 (0.44) GAAFFAR4KDM4EGRM2
SCHEMBL4359206 0.88 DPP4 (0.43) GAAFFAR4KDM4EGRM2CHRM4
SCHEMBL1025401 0.88 GAA (0.56) GAAFFAR4KDM4EGRM2CHRM4
Trifluoroacetic Acid SCHEMBL1026535 0.84 FFAR4 (0.52) GAAFFAR4KDM4EFFAR1
SCHEMBL4355886 0.84 CHRM4 (0.48) FFAR4CHRM4FFAR1
SCHEMBL13622681 0.81 FFAR4 (0.54) GAAFFAR4KDM4EGRM2CHRM4
SCHEMBL1023810 0.78 ALDH1A1 (0.58) KDM4E
SCHEMBL1025133 0.77 GAA (0.38) GAAFFAR4GRM2CHRM4FFAR1
SCHEMBL4364982 0.76 CHRM4 (0.46) FFAR4KDM4ECHRM4

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 GAA 2377/4885FFAR4 2075/4885KDM4E 248/4885

“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.