SCHEMBL27442082

SCHEMBL27442082

COc1nccc2c1cnn2Cc1ccc(BO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ GRIN1 Q05586 5/20 0.34
▸ GRIN2B Q13224 5/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ USP1 O94782 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PKLR P30613 1/20 0.33
▸ BUB1 O43683 2/20 0.32

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
SCHEMBL29424700 0.83 ACACB (0.40) ACACBSLC2A1CNR1CNR2GRIN1
SCHEMBL22533471 0.83 ACACB (0.40) ACACBSLC2A1CNR1CNR2GRIN1
SCHEMBL27442085 0.82 RECQL (0.34) ACACBSLC2A1GRIN1GRIN2BALDH1A1
SCHEMBL22533992 0.81 ACACB (0.41) ACACBSLC2A1CNR1CNR2LMNA
SCHEMBL28723176 0.79 ACACB (0.40) ACACBCNR1CNR2GRIN1GRIN2B
SCHEMBL22547791 0.79 ACACB (0.37) ACACBSLC2A1CNR1CNR2GRIN1
SCHEMBL30066981 0.76 ACACB (0.37) ACACBSLC2A1CNR1CNR2LMNA
SCHEMBL22533722 0.76 ACACB (0.37) ACACBSLC2A1CNR1CNR2LMNA
SCHEMBL25235955 0.72 NPBWR1 (0.50) CNR1CNR2GRIN1GRIN2BLMNA
SCHEMBL31000799 0.72 NPBWR1 (0.50) CNR1CNR2GRIN1GRIN2BLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 — — US 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-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 ACACB 548/4885SLC2A1 2930/4885CNR1 1782/4885

“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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