SCHEMBL22729654

SCHEMBL22729654

Cc1cn(C)c(=O)c2c(C(=O)Nc3ccc(N4CCOCC4)cc3)nn(C)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.52
▸ ABCB1 P08183 1/20 0.50
▸ MAPT P10636 11/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ RAF1 P04049 2/20 0.47
▸ BRAF P15056 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MITF O75030 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GAA P10253 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
SCHEMBL22729814 0.82 PKM (0.55) TDP1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL22729636 0.73 MAPT (0.55) TDP1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL22729527 0.71 RET (0.34) RAF1BRAF
SCHEMBL22729506 0.70 MAPT (0.53) MAPTSMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL22729628 0.69 BRD4 (0.38) MAPTSMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL22729793 0.69 ALDH1A1 (0.55) SMN1; SMN2HPGDRAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL22729563 0.69 KDM4E (0.36) MAPTKDM4EHPGDTP53PKM
SCHEMBL13907635 0.67 NPC1 (1.00) TDP1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL1853814 0.67 MAPT (0.67) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL429085 0.66 MAPT (0.75) MAPTSMN1; SMN2KDM4ERAB9ANPC1

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 TDP1 1609/4885ABCB1 3410/4885MAPT 356/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC TDP1 1557/4885ABCB1 3542/4885MAPT 364/4885

“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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