SCHEMBL29907452

SCHEMBL29907452

O=C(Nc1cnn(CC2CC2)c1)c1cccn(-c2ccc(F)cc2OCC(F)(F)F)c1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 3/20 0.51
RIPK1 Q13546 6/20 0.44
KDM1A O60341 2/20 0.41
MET P08581 6/20 0.39
RIPK2 O43353 3/20 0.39
RIPK3 Q9Y572 3/20 0.39
AXL P30530 3/20 0.38
MAPK7 Q13164 1/20 0.38

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
SCHEMBL29907632 0.90 UGCG (0.55) UGCGRIPK1METRIPK3AXL
SCHEMBL29907601 0.88 UGCG (0.53) UGCGRIPK1METRIPK3AXL
SCHEMBL29907373 0.88 UGCG (0.53) UGCGRIPK1METRIPK2RIPK3
SCHEMBL29601550 0.88 UGCG (0.53) UGCGRIPK1METRIPK3AXL
SCHEMBL29907625 0.87 UGCG (0.51) UGCGRIPK1METRIPK3AXL
SCHEMBL29907510 0.87 UGCG (0.54) UGCGRIPK1METRIPK2RIPK3
SCHEMBL29907610 0.85 UGCG (0.49) UGCGMETAXL
SCHEMBL29907354 0.84 UGCG (0.54) UGCGMETRIPK3AXL
SCHEMBL24464357 0.83 UGCG (0.60) UGCGRIPK1METRIPK2RIPK3
SCHEMBL29907382 0.83 UGCG (0.58) UGCGRIPK1METRIPK2RIPK3

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-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 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-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC UGCG 10/4885RIPK1 4329/4885KDM1A 1207/4885

“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.