SCHEMBL22729506

SCHEMBL22729506

Cc1cn(C)c(=O)n2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ NPC1 O15118 5/20 0.49
▸ TP53 P04637 4/20 0.49
▸ PKM P14618 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ MITF O75030 2/20 0.48
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ F10 P00742 1/20 0.46
▸ DGAT1 O75907 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL22754972 0.84 MAPT (0.47) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL22754983 0.82 MAPT (0.53) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL29839337 0.81 MAPT (0.50) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL22729511 0.81 MAPT (0.50) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL22729814 0.70 PKM (0.55) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL22729727 0.70 ALDH1A1 (0.32) MAPTALDH1A1PKMLMNAKDM4E
SCHEMBL22729654 0.70 TDP1 (0.52) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL22729512 0.69 KDM4E (0.39) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL22755193 0.69 NPC1 (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL22729636 0.69 MAPT (0.55) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1

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 MAPT 356/4885RAB9A 239/4885SMN1; SMN2 151/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MAPT 364/4885RAB9A 239/4885SMN1; 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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