SCHEMBL29907502

SCHEMBL29907502

O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cccn(-c2ncncc2OCC(F)(F)F)c1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 4/20 0.54
TRPV1 Q8NER1 2/20 0.41
AXL P30530 4/20 0.40
MET P08581 6/20 0.40
RIPK3 Q9Y572 1/20 0.40
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
DGAT1 O75907 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
SCHEMBL29907653 0.88 UGCG (0.59) UGCGAXLMETRIPK3TYRO3
SCHEMBL29907619 0.85 UGCG (0.72) UGCGTRPV1AXLMETRIPK3
SCHEMBL24464284 0.82 UGCG (0.60) UGCGTRPV1AXLMETRIPK3
SCHEMBL29907403 0.82 UGCG (0.60) UGCGTRPV1AXLMETRIPK3
SCHEMBL29907649 0.82 UGCG (0.42) UGCGRIPK3DGAT1
SCHEMBL29907440 0.79 UGCG (0.71) UGCGTRPV1AXL
SCHEMBL24464214 0.79 UGCG (0.52) UGCGTRPV1AXLMETTYRO3
SCHEMBL29907572 0.79 UGCG (0.56) UGCGTRPV1AXLMETRIPK3
SCHEMBL29907481 0.78 UGCG (0.58) UGCGTRPV1AXLMETRIPK3
SCHEMBL29907516 0.78 UGCG (0.51) UGCGTRPV1AXLMET

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 10/4885TRPV1 2194/4885AXL 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.