SCHEMBL22729400

SCHEMBL22729400

Cc1cn(C)c(=O)c2c(C(=O)O)csc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GPR35 Q9HC97 10/20 0.38
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NR4A1 P22736 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EIF4EBP1 Q13541 2/20 0.35
NOTUM Q6P988 1/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
TSHR P16473 1/20 0.33
BRD4 O60885 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL27199691 0.80 BCAT2 (0.35) BCAT2LMNAHPGDGPR35MEN1
SCHEMBL22729595 0.77 BRD4 (0.58) HPGDMEN1POLBKMT2ABRD4
SCHEMBL22729431 0.77 GPR35 (0.39) GPR35ERCC5FEN1BRD4
SCHEMBL22729775 0.76 MAP2K1 (0.43) HPGDKMT2ABRD4
Hydrochloric Acid SCHEMBL27199558 0.74 AURKA (0.34) ERCC5FEN1BRD4
SCHEMBL22729514 0.72 NOTUM (0.37) BCAT2LMNAHPGDPOLBNOTUM
SCHEMBL22729423 0.72 KDM4E (0.38)
SCHEMBL25755758 0.71 CNR2 (0.38) BRD4
SCHEMBL22729613 0.69 NOTUM (0.34) BCAT2LMNAHPGDGPR35NOTUM
SCHEMBL27199392 0.68 POLB (0.35) BCAT2LMNAHPGDMEN1POLB

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 BCAT2 1447/4885LMNA 695/4885HPGD 1589/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC BCAT2 1411/4885LMNA 680/4885HPGD 1502/4885

“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.