SCHEMBL29907648

SCHEMBL29907648

CC(C)(O)Cc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3OCC(F)(F)F)c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 6/20 0.67
RIPK3 Q9Y572 4/20 0.42
RIPK1 Q13546 3/20 0.42
RIPK2 O43353 2/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
MET P08581 8/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
AXL P30530 1/20 0.40
AURKA O14965 1/20 0.40
LCK P06239 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL29907584 0.90 UGCG (0.67) UGCGRIPK3RIPK1RIPK2MRGPRX1
SCHEMBL29907613 0.90 UGCG (0.83) UGCGRIPK3RIPK1RIPK2MRGPRX1
SCHEMBL29907477 0.86 UGCG (0.60) UGCGRIPK3RIPK1RIPK2MRGPRX1
SCHEMBL29907685 0.86 UGCG (0.69) UGCGRIPK3MRGPRX1METCYP3A4
SCHEMBL29907343 0.86 UGCG (0.62) UGCGRIPK3RIPK1RIPK2MRGPRX1
SCHEMBL29907401 0.86 UGCG (0.66) UGCGRIPK3RIPK1RIPK2MRGPRX1
SCHEMBL29907467 0.86 UGCG (0.66) UGCGRIPK3RIPK1RIPK2MET
SCHEMBL29907357 0.85 UGCG (0.70) UGCGRIPK3MRGPRX1METCYP2C9
SCHEMBL29907405 0.85 UGCG (0.65) UGCGRIPK3RIPK1METCYP3A4
SCHEMBL29907618 0.84 UGCG (0.62) UGCGMRGPRX1AXL

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 10/4885RIPK3 4359/4885RIPK1 4329/4885

“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.