SCHEMBL22729636

SCHEMBL22729636

Cc1cn(C)c(=O)c2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cnn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ RAB9A P51151 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ PKM P14618 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ DGAT1 O75907 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MITF O75030 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ G6PD P11413 1/20 0.48
▸ MC4R P32245 1/20 0.48

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
SCHEMBL22729751 0.84 MAPT (0.51) MAPTALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL22729551 0.84 MAPT (0.51) MAPTALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL22755057 0.83 MAPT (0.53) MAPTALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL22729508 0.83 MAPT (0.54) MAPTALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL29839342 0.81 KMT2A (0.53) MAPTALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL22729798 0.81 KMT2A (0.53) MAPTALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL22729465 0.81 MAPT (0.51) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL22729625 0.79 PDE10A (0.49) MAPTALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL29839336 0.79 PDE10A (0.49) MAPTALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL22729814 0.77 PKM (0.55) MAPTALDH1A1RAB9ASMN1; SMN2PKM

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 356/4885ALDH1A1 2626/4885RAB9A 239/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MAPT 364/4885ALDH1A1 2660/4885RAB9A 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.

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