SCHEMBL22729434

SCHEMBL22729434

Cc1cn(C)c(=O)c2c(C(=O)Nc3ccccc3OCc3ccccc3)n(C)nc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ P4HTM Q9NXG6 1/20 0.39
▸ NR3C1 P04150 3/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PPIA P62937 2/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ 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
SCHEMBL22729591 0.84 BRD4 (0.47) BRD4TDP1L3MBTL1LMNATP53
SCHEMBL22729676 0.80 TDP1 (0.53) BRD4TDP1L3MBTL1LMNATP53
SCHEMBL22729606 0.74 BRD4 (0.49) BRD4TDP1L3MBTL1LMNATP53
SCHEMBL22754975 0.72 TDP1 (0.50) BRD4TDP1L3MBTL1TP53POLB
SCHEMBL22729424 0.70 POLB (0.41) BRD4TDP1L3MBTL1LMNAPOLB
SCHEMBL3619403 0.69 BRD4 (0.77) BRD4TDP1L3MBTL1POLBMAPT
SCHEMBL22729485 0.69 BRD4 (0.39) BRD4LMNATP53POLBMAPT
SCHEMBL22729677 0.69 MAPT (0.53) L3MBTL1LMNATP53POLBMAPT
SCHEMBL29839358 0.69 MAPT (0.53) L3MBTL1LMNATP53POLBMAPT
SCHEMBL11549645 0.69 BRD4 (0.70) BRD4TDP1L3MBTL1TOP2AMEN1

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.

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