SCHEMBL22729613

SCHEMBL22729613

Cc1cn(C)c(=O)c2c(C(=O)O)coc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
HPGD P15428 2/20 0.33
BCAT2 O15382 1/20 0.33
LMNA P02545 1/20 0.33
BRD4 O60885 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GPR35 Q9HC97 1/20 0.31
MAOB P27338 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TTR P02766 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
HAAO P46952 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL28719291 0.83 MAP2K1 (0.34) BRD4GPR35MAOBL3MBTL1
SCHEMBL22729476 0.76 BRD4 (0.31) BRD4
SCHEMBL28723227 0.76 BRD4 (0.37) HPGDLMNABRD4MAOBL3MBTL1
SCHEMBL28723229 0.74 BRD4 (0.34) LMNABRD4MAOBL3MBTL1KDM4E
SCHEMBL22729514 0.72 NOTUM (0.37) NOTUMHPGDBCAT2LMNABRD4
SCHEMBL22729825 0.72 ALDH1A1 (0.41) BRD4KDM4EGAA
SCHEMBL22729400 0.69 BCAT2 (0.38) NOTUMHPGDBCAT2LMNABRD4
SCHEMBL23212251 0.69 BRD4 (0.44) HPGDLMNABRD4SMN1; SMN2KDM4E
SCHEMBL22729432 0.67 LMNA (0.40) NOTUMHPGDLMNABRD4KDM4E
SCHEMBL22729865 0.67 ATM (0.37) NOTUMHPGDBCAT2LMNABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 EP 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 (2 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC NOTUM 757/4885HPGD 1589/4885BCAT2 1447/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC NOTUM 715/4885HPGD 1502/4885BCAT2 1411/4885

“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.