SCHEMBL22729601

SCHEMBL22729601

Cc1cn(C)c(=O)c2c(C(=O)O)cn(Cc3ccccc3)c12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.49
NOTUM Q6P988 2/20 0.48
LMNA P02545 1/20 0.47
CHRM1 P11229 3/20 0.46
P2RX7 Q99572 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL22729432 0.82 LMNA (0.40) BRD4NOTUMLMNA
SCHEMBL22729607 0.80 BRD4 (0.47) BRD4LMNA
SCHEMBL22729514 0.77 NOTUM (0.37) BRD4NOTUMLMNAL3MBTL1
SCHEMBL22729829 0.73 BRD4 (0.50) BRD4NOTUM
SCHEMBL22729486 0.72 BRD4 (0.65) BRD4L3MBTL1
SCHEMBL11610011 0.70 BRD4 (0.56) BRD4NOTUMLMNAP2RX7
SCHEMBL11560371 0.70 NOTUM (0.55) BRD4NOTUMLMNACHRM1P2RX7
SCHEMBL22729500 0.69 KDM4E (0.49) BRD4NOTUMLMNAL3MBTL1MAPK1
SCHEMBL22729637 0.69 BRD4 (0.51) BRD4L3MBTL1
SCHEMBL11577881 0.69 LMNA (0.59) NOTUMLMNACHRM1P2RX7

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 BRD4 1170/4885NOTUM 757/4885LMNA 695/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC BRD4 1201/4885NOTUM 715/4885LMNA 680/4885

“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.