SCHEMBL29907477

SCHEMBL29907477

N#CCc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3OCC(F)(F)F)c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 4/20 0.60
KMT2A Q03164 2/20 0.46
AXL P30530 3/20 0.42
MRGPRX1 Q96LB2 1/20 0.40
MET P08581 8/20 0.40
RIPK3 Q9Y572 2/20 0.40
NPC1 O15118 1/20 0.40
RIPK2 O43353 1/20 0.39
RIPK1 Q13546 1/20 0.39
LCLAT1 Q6UWP7 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 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
SCHEMBL29907618 0.90 UGCG (0.62) UGCGAXLMRGPRX1
SCHEMBL29602194 0.89 UGCG (0.55) UGCGAXLMRGPRX1METRIPK3
SCHEMBL29907648 0.86 UGCG (0.67) UGCGKMT2AAXLMRGPRX1MET
SCHEMBL29907685 0.84 UGCG (0.69) UGCGKMT2AAXLMRGPRX1MET
SCHEMBL29907613 0.84 UGCG (0.83) UGCGKMT2AAXLMRGPRX1MET
SCHEMBL24464284 0.83 UGCG (0.60) UGCGAXLMRGPRX1METRIPK3
SCHEMBL29907403 0.83 UGCG (0.60) UGCGAXLMRGPRX1METRIPK3
SCHEMBL24464357 0.83 UGCG (0.60) UGCGAXLMRGPRX1METRIPK3
SCHEMBL24464251 0.83 UGCG (0.60) UGCGKMT2AAXLMRGPRX1MET
SCHEMBL29907411 0.83 UGCG (0.60) UGCGKMT2AAXLMRGPRX1MET

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 10/4885KMT2A 540/4885AXL 4241/4885

“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.