SCHEMBL22729809

SCHEMBL22729809

Cc1nc(-c2ccccc2)sc1CNC(=O)c1cn(C)c2c(C)cn(C)c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
KLKB1 P03952 1/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL22754987 0.86 KLKB1 (0.42) BRD4KLKB1LMNAMAPTTP53
SCHEMBL22729486 0.81 BRD4 (0.65) BRD4MAPTTP53HPGDNPC1
SCHEMBL22729608 0.76 KDM4E (0.49) BRD4LMNAMAPTTP53HPGD
SCHEMBL22729513 0.75 BRD4 (0.48) BRD4LMNAMAPTTP53HPGD
SCHEMBL22729842 0.75 P2RX7 (0.43) BRD4LMNAMAPTTP53HPGD
SCHEMBL22729544 0.74 KLKB1 (0.45) BRD4KLKB1MAPTTP53HPGD
SCHEMBL22729576 0.72 P2RX7 (0.42) BRD4LMNAMAPTHPGDALDH1A1
SCHEMBL29839321 0.72 P2RX7 (0.42) BRD4LMNAMAPTHPGDALDH1A1
SCHEMBL22729472 0.71 RAB9A (0.55) BRD4LMNATP53HPGDNPC1
SCHEMBL22729585 0.71 PRSS12 (0.39) BRD4KLKB1MAPTALDH1A1KDM4E

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 1170/4885KLKB1 4860/4885LMNA 695/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC BRD4 1201/4885KLKB1 4857/4885LMNA 680/4885

“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.