SCHEMBL13622662

SCHEMBL13622662

N#Cc1c(Cl)cccc1N1CCC(CC(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
FFAR4 Q5NUL3 9/20 0.49
CHRM4 P08173 1/20 0.44
GRM2 Q14416 1/20 0.44
DPP4 P27487 1/20 0.44
PREP P48147 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
NOTUM Q6P988 3/20 0.44
KDM1A O60341 1/20 0.43
FFAR1 O14842 1/20 0.41

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 SCHEMBL1025399 0.93 GAA (0.60) GAAKDM4EALDH1A1L3MBTL1FFAR4
SCHEMBL2557112 0.86 KDM4E (0.56) GAAKDM4EALDH1A1L3MBTL1FFAR4
SCHEMBL13622686 0.85 KDM4E (0.62) GAAKDM4EALDH1A1FFAR4GRM2
SCHEMBL13622681 0.85 FFAR4 (0.54) GAAKDM4EFFAR4CHRM4GRM2
SCHEMBL2558768 0.84 GAA (0.78) GAAKDM4EALDH1A1L3MBTL1NOTUM
SCHEMBL13669708 0.83 GAA (0.48) GAAFFAR4ADRA1DADRA1AADRA1B
SCHEMBL13622683 0.82 GRM2 (0.47) GAAFFAR4GRM2ADRA1DADRA1A
SCHEMBL13622678 0.82 KHK (0.48) GAAKDM4EFFAR4GRM2DPP4
SCHEMBL13622691 0.81 FFAR4 (0.48) GAAFFAR4FFAR1
SCHEMBL1025401 0.81 GAA (0.56) GAAKDM4EALDH1A1L3MBTL1FFAR4

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
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
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 GAA 2377/4885KDM4E 248/4885ALDH1A1 2511/4885

“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.