SCHEMBL1024488

SCHEMBL1024488

N#Cc1c(F)cccc1N1CCC(CC(=O)OC(=O)C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GRM2 Q14416 7/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
GAA P10253 1/20 0.42
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40
CHRM4 P08173 4/20 0.39
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 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 0.89 GAA (0.41) KDM4EGRM2GAACHRM4FFAR4
SCHEMBL1025401 0.89 GAA (0.56) KDM4EALDH1A1GRM2GAADPP4
SCHEMBL4359206 0.89 DPP4 (0.43) KDM4EGRM2GAADPP4DPP9
SCHEMBL1022983 0.87 GRM2 (0.44) KDM4EALDH1A1GRM2DRD2HTR2A
SCHEMBL4355886 0.85 CHRM4 (0.48) DRD2CHRM4FFAR4FFAR1
Trifluoroacetic Acid SCHEMBL1024487 0.84 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10GRM2
SCHEMBL13622686 0.82 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10GRM2
SCHEMBL1025133 0.78 GAA (0.38) GRM2GAACHRM4FFAR4FFAR1
SCHEMBL4364982 0.77 CHRM4 (0.46) KDM4EDPP4CHRM4FFAR4
SCHEMBL4357617 0.76 FFAR4 (0.48) KDM4ECHRM4FFAR4FFAR1

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 KDM4E 248/4885ALDH1A1 2511/4885HPGD 4536/4885

“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.