SCHEMBL4359206

SCHEMBL4359206

N#Cc1c(N2CCC(CC(=O)OC(=O)C(F)(F)F)CC2)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
GAA P10253 1/20 0.41
GRM2 Q14416 4/20 0.40
KDM4E B2RXH2 1/20 0.39
NOTUM Q6P988 1/20 0.38
TTR P02766 2/20 0.38
P2RX7 Q99572 2/20 0.38
CHRM4 P08173 1/20 0.37
RBP4 P02753 1/20 0.37
KHK P50053 1/20 0.37
TNKS O95271 3/20 0.37
TNKS2 Q9H2K2 3/20 0.37
FFAR4 Q5NUL3 2/20 0.36
C5AR1 P21730 1/20 0.36
FFAR1 O14842 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) DPP4DPP9GAAGRM2KDM4E
SCHEMBL1026537 0.88 GAA (0.41) GAAGRM2KDM4ECHRM4FFAR4
SCHEMBL1025401 0.88 GAA (0.56) DPP4DPP9DPP7GAAGRM2
SCHEMBL1022983 0.86 GRM2 (0.44) GAAGRM2KDM4EFFAR4
SCHEMBL13622678 0.85 KHK (0.48) DPP4DPP8DPP9DPP7GAA
Trifluoroacetic Acid SCHEMBL4359200 0.84 FFAR4 (0.47) DPP4DPP8DPP9DPP7GAA
SCHEMBL4355886 0.84 CHRM4 (0.48) CHRM4FFAR4C5AR1FFAR1
SCHEMBL4357617 0.78 FFAR4 (0.48) KDM4ECHRM4FFAR4FFAR1
SCHEMBL5798527 0.77 NOTUM (0.59) DPP4DPP8DPP9DPP7GAA
SCHEMBL1025133 0.77 GAA (0.38) GAAGRM2CHRM4KHKFFAR4

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 2 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

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 DPP4 1423/4885DPP8 1450/4885DPP9 1087/4885

“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.