SCHEMBL1025117

SCHEMBL1025117

N#Cc1cc(F)c(Cl)nc1N1CCC(CC(=O)OC(=O)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ P2RY12 Q9H244 4/20 0.34
▸ GPR6 P46095 1/20 0.34
▸ EIF4EBP1 Q13541 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34

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 SCHEMBL1025115 0.85 FFAR4 (0.44) FFAR4FFAR1GPR6EIF4EBP1KHK
SCHEMBL13622707 0.84 FFAR4 (0.45) FFAR4KHK
SCHEMBL1025467 0.81 HRH4 (0.43) ALDH1A1FFAR4KDM4EHPGDCASP1
SCHEMBL1023731 0.77 KDM4E (0.55) ALDH1A1KDM4EMAPTMALT1LDHA
SCHEMBL1023810 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4355886 0.75 CHRM4 (0.48) FFAR4FFAR1CHRM4
SCHEMBL4357617 0.73 FFAR4 (0.48) FFAR4KDM4EMAPTFFAR1EIF4EBP1
SCHEMBL1025133 0.73 GAA (0.38) FFAR4GAAMAPTFFAR1EIF4EBP1
SCHEMBL1024488 0.72 KDM4E (0.53) ALDH1A1FFAR4KDM4EHPGDHSD17B10
SCHEMBL4364982 0.72 CHRM4 (0.46) FFAR4KDM4ECHRM2CHRM4

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 ALDH1A1 2511/4885FFAR4 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.

Send feedback