SCHEMBL29987354

SCHEMBL29987354

COC(=O)/C=C/COC(c1cccc2c(=O)n(Cc3ccc(OC)cc3)ncc12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 14/20 0.41
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ GPR139 Q6DWJ6 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ PKLR P30613 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27077708 0.93 NPBWR1 (0.41) NPBWR1AURKAAURKBGPR139MCHR1
SCHEMBL27435544 0.88 NPBWR1 (0.42) NPBWR1AURKAAURKBGPR139MCHR1
SCHEMBL27077806 0.83 NPBWR1 (0.42) NPBWR1AURKAAURKBGPR139MCHR1
SCHEMBL27077886 0.82 NPBWR1 (0.42) NPBWR1MCHR1PKMPKLRALDH1A1
SCHEMBL27077642 0.81 NPBWR1 (0.49) NPBWR1AURKAAURKBMCHR1PKM
SCHEMBL27435484 0.78 NPBWR1 (0.43) NPBWR1GPR139MCHR1PKMPKLR
SCHEMBL29987686 0.78 NPBWR1 (0.43) NPBWR1GPR139MCHR1PKMPKLR
SCHEMBL27435547 0.76 NPBWR1 (0.53) NPBWR1AURKAAURKBMCHR1PKM
SCHEMBL27435541 0.72 NPBWR1 (0.43) NPBWR1AURKAAURKBGPR139MCHR1
SCHEMBL27077835 0.69 NPBWR1 (0.54) NPBWR1AURKAAURKBMCHR1PKM

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-20240217968-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-07-04 — — US disclosed
EP-4313300-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-02-07 — — EP disclosed
WO-2022207752-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2022-10-06 — — 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-20240217968-A1 PHARMACEUTICAL COMPOUND F11, F12, ZYX NPBWR1 830/4885AURKA 3052/4885AURKB 2318/4885

“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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