SCHEMBL22533435

SCHEMBL22533435

O=P(O)(O)c1ccc(Cn2cnc3nc(O)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 2/20 0.47
▸ MET P08581 3/20 0.43
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ CYP11B1 P15538 4/20 0.34
▸ CYP11B2 P19099 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TNF P01375 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ EGLN3 Q9H6Z9 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PKM P14618 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
SCHEMBL28713303 0.83 PNP (0.44) PNPMETHDAC1HDAC6CYP11B1
SCHEMBL22533841 0.83 PNP (0.47) PNPMETHDAC1HDAC6SMN1; SMN2
SCHEMBL22533537 0.81 TDP1 (0.40) METHDAC1HDAC6CYP11B1CYP11B2
SCHEMBL28713326 0.79 PNP (0.53) PNPMETHDAC1HDAC6CYP11B1
SCHEMBL22533590 0.78 MET (0.45) METHDAC1HDAC6CYP11B1CYP11B2
SCHEMBL22533730 0.74 PNP (0.50) PNPHDAC1HDAC6CYP11B1CYP11B2
SCHEMBL22547750 0.74 PNP (0.50) PNPMETHDAC1HDAC6CYP11B1
SCHEMBL22533876 0.70 ENPP1 (0.47) PNPHDAC1HDAC6CYP11B1CYP11B2
SCHEMBL22533783 0.70 HDAC1 (0.52) PNPHDAC1HDAC6CYP11B1CYP11B2
SCHEMBL22533972 0.69 PPARG (0.52) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2025-02-06 — — US disclosed
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
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
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-11-17 — — US 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 (3 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-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 PNP 8/4885MET 4785/4885HDAC1 661/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 PNP 8/4885MET 4808/4885HDAC1 697/4885
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 PNP 8/4885MET 4808/4885HDAC1 697/4885

“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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