SCHEMBL22729467

SCHEMBL22729467

Cc1cn(C)c(=O)c2c(C(=O)Nc3cn(-c4ccccc4)cn3)cn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.39
NPY5R Q15761 3/20 0.38
USP30 Q70CQ3 2/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 4/20 0.38
TP53 P04637 1/20 0.37
BCAT2 O15382 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.35
BRD4 O60885 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
RIPK1 Q13546 1/20 0.34
WDR5 P61964 1/20 0.34

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
SCHEMBL22729472 0.80 RAB9A (0.55) RAB9ANPC1TP53BCAT2MEN1
SCHEMBL22729669 0.77 NPC1 (0.44) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL22729744 0.74 RAB9A (0.48) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL29839370 0.74 SORT1 (0.44) RAB9ANPC1
SCHEMBL22729691 0.74 SORT1 (0.44) RAB9ANPC1
SCHEMBL22729483 0.73 RAB9A (0.48) RAB9ANPC1TP53BCAT2MEN1
SCHEMBL22729593 0.73 PNLIP (0.49) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL29839318 0.73 RIOK2 (0.44) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL22729752 0.73 ALDH1A1 (0.47) RAB9ATP53MEN1KMT2ABRD4
SCHEMBL29839397 0.73 ALDH1A1 (0.47) RAB9ATP53MEN1KMT2ABRD4

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 5 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
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 OTUD7B 2199/4885NPY5R 2197/4885USP30 3887/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC OTUD7B 2042/4885NPY5R 2137/4885USP30 3798/4885

“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.