SCHEMBL22729469

SCHEMBL22729469

Cc1cn(C)c(=O)c2c(C(=O)O)cnn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.46
▸ ALDH1A1 P00352 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ NR4A3 Q92570 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SPR P35270 2/20 0.34
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL22729741 0.81 KDM4E (0.48) KDM4EALDH1A1HSD17B10GAATSHR
SCHEMBL22729818 0.77 BRD4 (0.30) —
SCHEMBL22729436 0.73 CYP1A2 (0.37) KDM4EALDH1A1TDP1GAAPOLB
SCHEMBL20594722 0.72 L3MBTL1 (0.36) KDM4EALDH1A1TDP1GAASMN1; SMN2
SCHEMBL22729614 0.71 CNR1 (0.39) POLBMAPK1KMT2AMEN1MAPT
SCHEMBL22729769 0.71 MAPK14 (0.44) KDM4EALDH1A1HSD17B10GAATSHR
SCHEMBL12067846 0.71 KDM4E (0.46) KDM4EALDH1A1TDP1HSD17B10SMN1; SMN2
SCHEMBL13851338 0.69 KDM4E (0.44) KDM4EALDH1A1TDP1HSD17B10GAA
SCHEMBL20326799 0.65 MEN1 (0.43) KDM4EALDH1A1HSD17B10GAAL3MBTL1
SCHEMBL7304782 0.65 KDM4E (0.50) KDM4EALDH1A1TDP1HSD17B10NR4A3

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 KDM4E 1315/4885ALDH1A1 2626/4885TDP1 1609/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC KDM4E 1270/4885ALDH1A1 2660/4885TDP1 1557/4885

“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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