SCHEMBL22729466

SCHEMBL22729466

COc1ccc(Cn2cc(C)n3ncc(Br)c3c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 6/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ PDE1A P54750 9/20 0.42
▸ PDE1B Q01064 9/20 0.42
▸ PDE1C Q14123 9/20 0.42
▸ MAPT P10636 4/20 0.42
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CMA1 P23946 1/20 0.40

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
SCHEMBL22729785 0.84 CHRM1 (0.51) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL27393064 0.72 CMA1 (0.50) NPBWR1MCHR1MAPTTP53LMNA
SCHEMBL22729794 0.72 MAPT (0.45) MCHR1MAPTTP53LMNAKDM4E
SCHEMBL22729427 0.72 KCNH2 (0.44) MCHR1MAPTTP53LMNAKDM4E
SCHEMBL22729465 0.71 MAPT (0.51) MAPTLMNAKDM4EALDH1A1
SCHEMBL4678834 0.71 MEN1 (0.46) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL23535857 0.70 NPBWR1 (0.67) NPBWR1MCHR1
SCHEMBL2400441 0.70 CYP11B2 (0.56) NPBWR1MCHR1MAPTTP53LMNA
SCHEMBL1311870 0.70 NPBWR1 (0.63) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL21553152 0.70 CMA1 (0.47) NPBWR1PDE1BMAPTTP53LMNA

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 NPBWR1 1916/4885MCHR1 2356/4885PDE1A 653/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC NPBWR1 1953/4885MCHR1 2232/4885PDE1A 670/4885

“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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