SCHEMBL22729606

SCHEMBL22729606

Cc1cn(C)c(=O)n2c(C(=O)Nc3ccccc3OCc3ccccc3)cnc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ EPHB3 P54753 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ P4HTM Q9NXG6 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ PPIA P62937 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SGMS2 Q8NHU3 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
SCHEMBL22729543 0.85 BRD4 (0.44) BRD4TDP1L3MBTL1EPHB3TP53
SCHEMBL29839402 0.85 BRD4 (0.44) BRD4TDP1L3MBTL1EPHB3TP53
SCHEMBL22729434 0.74 BRD4 (0.48) BRD4TDP1L3MBTL1TP53POLB
SCHEMBL22729676 0.73 TDP1 (0.53) BRD4TDP1L3MBTL1TP53POLB
SCHEMBL22729591 0.73 BRD4 (0.47) BRD4TDP1L3MBTL1TP53POLB
SCHEMBL22729727 0.72 ALDH1A1 (0.32) TDP1MAPTLMNA
SCHEMBL22729512 0.71 KDM4E (0.39) BRD4L3MBTL1TP53POLBMAPT
SCHEMBL3619403 0.70 BRD4 (0.77) BRD4TDP1L3MBTL1POLBMAPT
SCHEMBL11549645 0.69 BRD4 (0.70) BRD4TDP1L3MBTL1TOP2ARXFP1
SCHEMBL38660185 0.69 BRD4 (0.70) BRD4TDP1L3MBTL1TOP2ARXFP1

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 4 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
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 BRD4 1170/4885TDP1 1609/4885L3MBTL1 1536/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC BRD4 1201/4885TDP1 1557/4885L3MBTL1 1525/4885

“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.

Send feedback