SCHEMBL22729533

SCHEMBL22729533

COC(=O)c1cnc2c(C)cn(-c3ccccc3OC)c(=O)n12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ ATP4A P20648 1/20 0.39
▸ ATP4B P51164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ HCAR1 Q9BXC0 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ EPHB3 P54753 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL22729864 0.90 LMNA (0.41) ATP4AATP4BL3MBTL1TP53LMNA
SCHEMBL22729540 0.81 ATP4A (0.42) ATP4AATP4BL3MBTL1HCAR1GAA
SCHEMBL22729543 0.81 BRD4 (0.44) MAPTL3MBTL1TP53LMNATSHR
SCHEMBL22729549 0.81 SCN9A (0.41) SCN9ALMNAGAAKDM4E
SCHEMBL29839337 0.78 MAPT (0.50) MAPTLMNAGAANPSR1KDM4E
SCHEMBL22729511 0.78 MAPT (0.50) MAPTLMNAGAANPSR1KDM4E
SCHEMBL22729454 0.76 MAPK14 (0.39) MAPTL3MBTL1TP53TSHRNPSR1
SCHEMBL22729453 0.76 MAPK14 (0.39) MAPTL3MBTL1TP53TSHRNPSR1
SCHEMBL22729840 0.76 CACNB4 (0.43) LMNANPSR1
SCHEMBL22729512 0.76 KDM4E (0.39) MAPTL3MBTL1TP53LMNAKDM4E

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 MAPT 356/4885ATP4A 1374/4885ATP4B 1763/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MAPT 364/4885ATP4A 1511/4885ATP4B 1936/4885

“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.

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