SCHEMBL26915060

SCHEMBL26915060

COc1ccc(Cn2ncc(OC)c(I)c2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 14/20 0.61
▸ MCHR1 Q99705 1/20 0.56
▸ PKM P14618 1/20 0.47
▸ PKLR P30613 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PDE1A P54750 2/20 0.46
▸ PDE1B Q01064 2/20 0.46
▸ PDE1C Q14123 2/20 0.46
▸ CMA1 P23946 1/20 0.46

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
SCHEMBL14844510 0.84 NPBWR1 (0.67) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL21521858 0.83 NPBWR1 (0.61) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL31140676 0.82 NPBWR1 (0.56) NPBWR1MCHR1ALDH1A1PDE1APDE1B
SCHEMBL26915070 0.80 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL21521851 0.80 NPBWR1 (0.61) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL29731534 0.80 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL27176044 0.80 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL14844531 0.78 NPBWR1 (0.84) NPBWR1MCHR1ALDH1A1HTT
SCHEMBL25723425 0.77 NPBWR1 (0.64) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL2551062 0.77 NPBWR1 (0.77) NPBWR1MCHR1PKMALDH1A1HTT

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-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2024-05-23 — — US disclosed
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 — — EP disclosed
CN-116724044-A Tri-heterocyclic compound, preparation method and application thereof 上海湃隆生物科技有限公司 2023-09-08 — — CN disclosed
WO-2022166749-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海湃隆生物科技有限公司 2022-08-11 — — WO 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 (1 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-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, WEE1, WEE2 NPBWR1 796/4885MCHR1 4541/4885PKM 3787/4885

“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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