SCHEMBL22533835

SCHEMBL22533835

OB(O)c1ccc(Cn2cnc3c(O)cccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.41
▸ CYP11B2 P19099 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ NR1H4 Q96RI1 5/20 0.41
▸ LMNA P02545 3/20 0.40
▸ DCTPP1 Q9H773 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ F11 P03951 1/20 0.37
▸ MET P08581 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL22533568 0.86 CYP11B1 (0.44) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22533720 0.85 CYP11B1 (0.40) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22533312 0.85 CYP11B1 (0.40) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22533811 0.83 CYP11B1 (0.41) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22533642 0.82 TRPA1 (0.39) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22533634 0.82 NR1H4 (0.38) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22533918 0.82 LMNA (0.42) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL29424691 0.81 EGLN1 (0.42) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22533675 0.81 EGLN1 (0.42) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL27441946 0.81 CYP11B1 (0.44) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1

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 CYP11B1 119/4885CYP11B2 158/4885HTT 3298/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 CYP11B1 127/4885CYP11B2 166/4885HTT 3278/4885
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 CYP11B1 127/4885CYP11B2 166/4885HTT 3278/4885

“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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