SCHEMBL26914933

SCHEMBL26914933

COc1ccc(Cn2ncc(NC(C)COCCC(=O)O)c(P(C)(C)=O)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 12/20 0.41
▸ MCHR1 Q99705 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ PKLR P30613 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ ITGB1 P05556 2/20 0.34
▸ ITGA4 P13612 2/20 0.34
▸ ITGB7 P26010 2/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL26914923 1.00 NPBWR1 (0.41) NPBWR1MCHR1BRD4PKMPKLR
SCHEMBL30729644 0.93 NPBWR1 (0.41) NPBWR1MCHR1BRD4PKMPKLR
SCHEMBL24639959 0.88 NPBWR1 (0.46) NPBWR1MCHR1BRD4P2RX7ALDH1A1
SCHEMBL24640411 0.88 NPBWR1 (0.46) NPBWR1MCHR1BRD4P2RX7ALDH1A1
SCHEMBL24640396 0.87 NPBWR1 (0.43) NPBWR1MCHR1BRD4PKMPKLR
SCHEMBL24640380 0.87 NPBWR1 (0.43) NPBWR1MCHR1BRD4PKMPKLR
SCHEMBL24640974 0.87 NPBWR1 (0.43) NPBWR1MCHR1BRD4PKMPKLR
SCHEMBL24640401 0.86 NPBWR1 (0.43) NPBWR1MCHR1BRD4PKMPKLR
SCHEMBL29731631 0.85 NPBWR1 (0.42) NPBWR1MCHR1BRD4PKMPKLR
SCHEMBL24640392 0.84 NPBWR1 (0.44) NPBWR1MCHR1

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 2 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

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 4541/4885BRD4 1194/4885

“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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