SCHEMBL22533592

SCHEMBL22533592

O=P(Oc1ccccc1)(Oc1ccccc1)c1ccc(Cn2cnc3nc(OCc4ccccc4)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LTA4H P09960 2/20 0.37
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ TNF P01375 1/20 0.36
▸ DAPK1 P53355 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.33
▸ MET P08581 1/20 0.33

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
SCHEMBL22533537 0.84 TDP1 (0.40) L3MBTL1TDP1LTA4HCYP11B1CYP11B2
SCHEMBL22533703 0.84 DAPK1 (0.40) L3MBTL1TDP1CYP11B1CYP11B2TNF
SCHEMBL22533859 0.72 MET (0.35) L3MBTL1CYP11B1CYP11B2GAAALDH1A1
SCHEMBL28713303 0.70 PNP (0.44) L3MBTL1CYP11B1CYP11B2GAAALDH1A1
SCHEMBL22533813 0.69 MEN1 (0.41) L3MBTL1TDP1CYP11B1CYP11B2TNF
SCHEMBL22533435 0.65 PNP (0.47) CYP11B1CYP11B2TNFALDH1A1SMN1; SMN2
SCHEMBL11308734 0.65 TDP1 (0.66) L3MBTL1TDP1LTA4H
SCHEMBL22533735 0.65 GRM2 (0.37) LTA4HALDH1A1SMN1; SMN2MET
SCHEMBL2197964 0.63 FGFR1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2PKM
SCHEMBL2194464 0.63 MEN1 (0.40) L3MBTL1ALDH1A1HTR3EHTR3BHTR1A

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 6 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
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-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 L3MBTL1 4292/4885TDP1 153/4885LTA4H 1105/4885

“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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