SCHEMBL22533918

SCHEMBL22533918

COc1cccc2c1ncn2Cc1ccc(B(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ HTT P42858 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NR1H4 Q96RI1 3/20 0.40
▸ CYP11B1 P15538 3/20 0.40
▸ CYP11B2 P19099 3/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ YTHDC1 Q96MU7 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TNF P01375 1/20 0.38

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 0.82 CYP11B1 (0.44) LMNAHTTSMN1; SMN2MAPK1KDM4E
SCHEMBL22533835 0.82 CYP11B1 (0.41) LMNAHTTSMN1; SMN2MAPK1NR1H4
SCHEMBL22533720 0.81 CYP11B1 (0.40) LMNAHTTSMN1; SMN2MAPK1KDM4E
SCHEMBL22533312 0.81 CYP11B1 (0.40) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL22533857 0.80 FGFR1 (0.45) LMNAHTTSMN1; SMN2MAPK1CYP11B1
SCHEMBL28717002 0.80 L3MBTL1 (0.41) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL22533896 0.79 HDAC3 (0.49) LMNAHTTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL22533811 0.79 CYP11B1 (0.41) LMNAHTTSMN1; SMN2MAPK1KDM4E
SCHEMBL22533642 0.78 TRPA1 (0.39) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL22533634 0.78 NR1H4 (0.38) LMNAHTTSMN1; SMN2MAPK1KDM4E

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-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-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-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 LMNA 2475/4885HTT 3278/4885SMN1; SMN2 1735/4885

“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.

Send feedback