SCHEMBL22729503

SCHEMBL22729503

COc1cccnc1NC(=O)c1cn(C)c2c(C)cn(C)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
GFER P55789 1/20 0.42
USP2 O75604 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BRPF1 P55201 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
TYK2 P29597 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL22755294 0.85 KMT2A (0.40) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL22729733 0.83 KMT2A (0.50) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL29839333 0.83 KMT2A (0.50) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL29839385 0.77 SORT1 (0.46) KMT2AMEN1RAB9AUSP2POLB
SCHEMBL22729770 0.77 RIOK2 (0.44) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL29839318 0.77 RIOK2 (0.44) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL22729724 0.77 SORT1 (0.46) KMT2AMEN1RAB9AUSP2POLB
SCHEMBL22729541 0.77 USP2 (0.64) KMT2ARAB9ASMN1; SMN2GAANPC1
SCHEMBL22729691 0.76 SORT1 (0.44) RAB9ASMN1; SMN2NPC1USP2MAPT
SCHEMBL29839370 0.76 SORT1 (0.44) RAB9ASMN1; SMN2NPC1USP2MAPT

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 4 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

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 KMT2A 405/4885MEN1 1745/4885RAB9A 239/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC KMT2A 410/4885MEN1 1710/4885RAB9A 239/4885

“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.