SCHEMBL3333550

SCHEMBL3333550

O=C(ON1CCC(N2CCC(F)(F)C2)CC1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 1/20 0.33
DPP4 P27487 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CD38 P28907 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
AR P10275 1/20 0.30

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
SCHEMBL28255795 0.82 DPP4 (0.33) DPP4DPP7
SCHEMBL28257454 0.82 CHRM3 (0.32)
SCHEMBL938120 0.76
SCHEMBL27979180 0.76 SCN9A (0.33)
SCHEMBL3597743 0.74 HPGD (0.46) HRH3
SCHEMBL3335488 0.74 L3MBTL3 (0.31)
Trifluoroacetic Acid SCHEMBL3333545 0.73 ARG1 (0.33) CCRL2DPP4DPP7DPP8DPP9
SCHEMBL28255978 0.73
SCHEMBL20292091 0.70 CASP3 (0.31) DPP4DPP8
SCHEMBL3333522 0.70 CNR2 (0.30)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 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-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CCRL2 4114/4885DPP4 1614/4885DPP7 1473/4885

“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.