SCHEMBL22729512

SCHEMBL22729512

COC(=O)c1cnc2c(C)cn(C)c(=O)n12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TP53 P04637 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 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
SCHEMBL22729727 0.84 ALDH1A1 (0.32) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL22729533 0.76 MAPT (0.42) KDM4ETP53HSD17B10POLBMAPT
SCHEMBL22755193 0.75 NPC1 (0.47) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL24389133 0.72 SMN1; SMN2 (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL22729767 0.72 CNR1 (0.39) KMT2AMEN1POLBMAPTMAPK1
SCHEMBL22729587 0.72 CCNE1 (0.33) HSD17B10HPGD
SCHEMBL14072035 0.71 ADORA2B (0.33) SMN1; SMN2ADORA2BLMNA
SCHEMBL22729606 0.71 BRD4 (0.49) TP53BRD4POLBMAPTL3MBTL1
SCHEMBL22729506 0.69 MAPT (0.53) KDM4EALDH1A1SMN1; SMN2TP53RAB9A
SCHEMBL17963105 0.67 ATM (0.44) KDM4EALDH1A1TP53RAB9ANPC1

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 KDM4E 1315/4885ALDH1A1 2626/4885SMN1; SMN2 151/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC KDM4E 1270/4885ALDH1A1 2660/4885SMN1; SMN2 155/4885

“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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