SCHEMBL22729485

SCHEMBL22729485

COC(=O)c1c2c(=O)n(C)cc(C)c2nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
TP53 P04637 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 2/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
NR4A2 P43354 1/20 0.31
SYK P43405 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL22729424 0.83 POLB (0.41) BRD4LMNAMAPTHPGDKDM4E
SCHEMBL22729628 0.75 BRD4 (0.38) BRD4TP53LMNAMAPTALDH1A1
SCHEMBL22729686 0.73 BRD4 (0.31) BRD4
SCHEMBL11277817 0.69 TSHR (0.41) BRD4ALDH1A1HPGDMAPK1KDM4E
SCHEMBL729060 0.65 L3MBTL1 (0.46) LMNAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL16486199 0.65 BRD4 (0.46) BRD4MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL9194890 0.64 KDM4E (0.42) TP53LMNAMAPTALDH1A1HPGD
SCHEMBL25759724 0.64 SMN1; SMN2 (0.50) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2215634 0.64 CNR2 (0.47) TP53ALDH1A1HPGDMAPK1KDM4E
SCHEMBL23728630 0.64 LMNA (0.41) TP53LMNAMAPTALDH1A1HPGD

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 1170/4885TP53 3839/4885LMNA 695/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC BRD4 1201/4885TP53 3876/4885LMNA 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.