SCHEMBL29424809

SCHEMBL29424809

O=P(O)(O)c1ccc(Cn2ncc3c(O)nccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.34
▸ PNP P00491 1/20 0.34
▸ ENPP1 P22413 2/20 0.34
▸ ACACB O00763 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NR3C1 P04150 2/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL22533809 1.00 MAPT (0.34) MAPTPNPENPP1ACACBRECQL
SCHEMBL22533992 0.83 ACACB (0.41) MAPTPNPENPP1ACACBNR3C1
SCHEMBL22547847 0.80 RECQL (0.35) MAPTACACBRECQLNR3C1CYP17A1
SCHEMBL22533478 0.79 DCTPP1 (0.34) MAPTACACBRECQLCYP17A1CYP1A2
SCHEMBL29424727 0.79 DCTPP1 (0.34) MAPTACACBRECQLCYP17A1CYP1A2
SCHEMBL30067085 0.78 KLKB1 (0.40) PNPENPP1ACACBLMNA
SCHEMBL22547751 0.78 KLKB1 (0.40) PNPENPP1ACACBLMNA
SCHEMBL22547750 0.73 PNP (0.50) PNP
SCHEMBL22533722 0.69 ACACB (0.37) MAPTACACBCYP17A1CYP1A2ALDH1A1
SCHEMBL30066981 0.69 ACACB (0.37) MAPTACACBCYP17A1CYP1A2ALDH1A1

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 4 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-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-11-17 — — US 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

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 MAPT 4120/4885PNP 8/4885ENPP1 1/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 MAPT 4158/4885PNP 8/4885ENPP1 1/4885
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 MAPT 4158/4885PNP 8/4885ENPP1 1/4885

“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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