SCHEMBL22729784

SCHEMBL22729784

COc1ccccc1-n1cc(C)n2ncc(Br)c2c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ JAK2 O60674 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ HCAR1 Q9BXC0 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPBWR1 P48145 1/20 0.36

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
SCHEMBL22729828 0.83 ADRA1A (0.38) —
SCHEMBL22729769 0.83 MAPK14 (0.44) RAB9ASMN1; SMN2TP53KDM4EF2
SCHEMBL22729488 0.80 KDM4E (0.45) MEN1KMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL29839367 0.72 SCN9A (0.43) MEN1KMT2ARAB9ASMN1; SMN2TP53
SCHEMBL22729787 0.72 SCN9A (0.43) MEN1KMT2ARAB9ASMN1; SMN2TP53
SCHEMBL22729782 0.69 UGCG (0.43) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23139902 0.68 UGCG (0.42) KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL22729466 0.68 NPBWR1 (0.43) TP53KDM4EALDH1A1NPBWR1
SCHEMBL22552364 0.63 DHODH (0.50) MGLLRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL22729846 0.63 KDM4E (0.43) JAK2BTKMGLLL3MBTL1RAB9A

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 MEN1 1745/4885KMT2A 405/4885JAK2 3262/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MEN1 1710/4885KMT2A 410/4885JAK2 3244/4885

“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.

Send feedback