SCHEMBL4359941

SCHEMBL4359941

N#Cc1ccnc(N2CCC(CC(=O)OC(=O)C(F)(F)F)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
MALT1 Q9UDY8 1/20 0.46
LCAT P04180 1/20 0.45
FFAR4 Q5NUL3 2/20 0.44
HCRTR1 O43613 11/20 0.42
HCRTR2 O43614 11/20 0.42
USP30 Q70CQ3 1/20 0.41
PANK3 Q9H999 1/20 0.41
CNR2 P34972 1/20 0.39

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
SCHEMBL1025208 0.84 CHRM4 (0.51) CHRM4LCATPANK3
SCHEMBL4365334 0.84 CHRM4 (0.48) CHRM4HRH3LCATFFAR4
Trifluoroacetic Acid SCHEMBL1025514 0.84 FFAR4 (0.56) CHRM4HRH3MALT1LCATFFAR4
SCHEMBL13622626 0.81 CHRM4 (0.56) CHRM4HRH3MALT1LCATFFAR4
SCHEMBL4364982 0.81 CHRM4 (0.46) CHRM4LCATFFAR4
SCHEMBL1024330 0.81 ALDH1A1 (0.52) HRH3USP30
SCHEMBL1025515 0.80 HRH3 (0.55) CHRM4HRH3MALT1LCATHCRTR1
SCHEMBL1023389 0.78 KDM4E (0.50)
Acetic Acid SCHEMBL1025513 0.78 HRH3 (0.61) CHRM4HRH3MALT1LCATHCRTR1
SCHEMBL4364569 0.78 LSS (0.43) HRH3FFAR4

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 CHRM4 4834/4885HRH3 1871/4885MALT1 141/4885

“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.