SCHEMBL22729759

SCHEMBL22729759

Cn1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2c(=O)[nH]ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ EGFR P00533 2/20 0.49
▸ MAPT P10636 6/20 0.48
▸ ATM Q13315 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ G6PD P11413 1/20 0.46
▸ MC4R P32245 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL22729668 0.78 PDE10A (0.47) PKMRAB9ANPC1TP53MAPK1
SCHEMBL22729597 0.76 PDE10A (0.49) PKMRAB9ANPC1TP53MAPK1
SCHEMBL22729814 0.76 PKM (0.55) PKMRAB9ANPC1TP53MAPK1
SCHEMBL22754851 0.74 RAB9A (0.52) PKMRAB9ANPC1TP53MAPK1
SCHEMBL29839305 0.73 KMT2A (0.54) PKMRAB9ANPC1TP53MAPK1
SCHEMBL22729649 0.73 KMT2A (0.54) PKMRAB9ANPC1TP53MAPK1
SCHEMBL22729750 0.70 NAPRT (0.43) MAPTLMNAALDH1A1MITFPOLB
SCHEMBL30923915 0.70 EGFR (0.65) RAB9ANPC1EGFRSMN1; SMN2
SCHEMBL22729746 0.69 NR4A2 (0.50) MAPTLMNAALDH1A1NPSR1MEN1
SCHEMBL13043185 0.69 RAB9A (0.55) PKMRAB9ANPC1TP53MAPK1

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 PKM 1739/4885RAB9A 239/4885NPC1 52/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC PKM 1696/4885RAB9A 239/4885NPC1 53/4885

“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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