SCHEMBL22533644

SCHEMBL22533644

COc1nccc2c1ccn2Cc1ccc(B(O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.39
▸ KLKB1 P03952 3/20 0.38
▸ KLK1 P06870 3/20 0.38
▸ DCTPP1 Q9H773 1/20 0.35
▸ F2R P25116 3/20 0.35
▸ LPL P06858 2/20 0.34
▸ LIPG Q9Y5X9 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ AHR P35869 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ SLC2A1 P11166 1/20 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
SCHEMBL29424845 1.00 ACACB (0.39) ACACBKLKB1KLK1DCTPP1F2R
SCHEMBL22533525 0.82 KLKB1 (0.40) KLKB1KLK1DCTPP1F2RLPL
SCHEMBL29424699 0.82 KLKB1 (0.40) KLKB1KLK1DCTPP1F2RLPL
SCHEMBL29424694 0.82 KLKB1 (0.40) KLKB1KLK1DCTPP1F2RLPL
SCHEMBL22533658 0.82 KLKB1 (0.40) KLKB1KLK1DCTPP1F2RLPL
SCHEMBL28717002 0.80 L3MBTL1 (0.41) DCTPP1LMNASMN1; SMN2HTR6
SCHEMBL22533572 0.80 SCN9A (0.45) ACACB
SCHEMBL22533471 0.79 ACACB (0.40) ACACBDCTPP1LPLLIPGCA1
SCHEMBL29424700 0.79 ACACB (0.40) ACACBDCTPP1LPLLIPGCA1
SCHEMBL22533789 0.78 DCTPP1 (0.44) DCTPP1LPLLIPGCA1CA2

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 7 patents. 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
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 — — US disclosed
EP-4249070-A2 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2023-09-27 — — EP disclosed
EP-3952995-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2022-02-16 — — EP disclosed
CN-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 — — CN disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 — — WO disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 — — 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-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 ACACB 548/4885KLKB1 4375/4885KLK1 4674/4885

“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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