SCHEMBL22533642

SCHEMBL22533642

N#Cc1cccc2c1ncn2Cc1ccc(B(O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.39
▸ NR1H4 Q96RI1 5/20 0.38
▸ DCTPP1 Q9H773 1/20 0.38
▸ CYP11B1 P15538 4/20 0.38
▸ CYP11B2 P19099 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CTSL P07711 4/20 0.37
▸ YTHDC1 Q96MU7 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL22533835 0.82 CYP11B1 (0.41) NR1H4DCTPP1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL22533568 0.82 CYP11B1 (0.44) NR1H4DCTPP1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL22533542 0.81 CYP11B1 (0.39) TRPA1CYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL22533312 0.81 CYP11B1 (0.40) NR1H4DCTPP1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL22533720 0.81 CYP11B1 (0.40) TRPA1NR1H4DCTPP1CYP11B1CYP11B2
SCHEMBL22533811 0.79 CYP11B1 (0.41) NR1H4DCTPP1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL17671317 0.78 DCTPP1 (0.59) NR1H4DCTPP1SMN1; SMN2MEN1ALDH1A1
SCHEMBL22533634 0.78 NR1H4 (0.38) NR1H4DCTPP1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL22533918 0.78 LMNA (0.42) TRPA1NR1H4CYP11B1CYP11B2SMN1; SMN2
SCHEMBL3168988 0.74 CYP11B1 (0.69) CYP11B1CYP11B2SMN1; SMN2HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3952995-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2022-02-16 — — EP claimed
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 claimed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 — — WO claimed
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 TRPA1 4787/4885NR1H4 2919/4885DCTPP1 7/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 TRPA1 4775/4885NR1H4 2913/4885DCTPP1 7/4885
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 TRPA1 4775/4885NR1H4 2913/4885DCTPP1 7/4885

“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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