SCHEMBL22729620

SCHEMBL22729620

COC(=O)c1cn(C)c2c(Br)cn(C)c(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.50
NR4A2 P43354 4/20 0.41
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL22729736 0.83 MAP2K1 (0.39) BRD4KDM4EALDH1A1HSD17B10LMNA
SCHEMBL22729542 0.82 BRD4 (0.50) BRD4NR4A2MAPTSMN1; SMN2CYP1A2
SCHEMBL22729458 0.81 BRD4 (0.49) BRD4NR4A2SMN1; SMN2KDM4EALDH1A1
SCHEMBL22729532 0.78 BRD4 (0.47) BRD4NR4A2SMN1; SMN2KDM4EALDH1A1
SCHEMBL22729764 0.77 BRD4 (0.46) BRD4NR4A2MAPTSMN1; SMN2CYP2C9
SCHEMBL20604834 0.77 NR4A2 (0.43) BRD4NR4A2MAPTSMN1; SMN2CYP1A2
SCHEMBL23212251 0.77 BRD4 (0.44) BRD4NR4A2MAPTSMN1; SMN2CYP1A2
SCHEMBL22729479 0.76 BRD4 (0.55) BRD4NR4A2MAPTKDM4EALDH1A1
SCHEMBL2710900 0.71 BRD4 (0.51) BRD4NR4A2MAPTSMN1; SMN2CYP1A2
SCHEMBL15539798 0.71 BRD4 (0.44) BRD4NR4A2MAPTSMN1; SMN2CYP1A2

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 BRD4 1170/4885NR4A2 4236/4885MAPT 356/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC BRD4 1201/4885NR4A2 4290/4885MAPT 364/4885

“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.