SCHEMBL22533857

SCHEMBL22533857

COc1cccc2ncn(Cc3ccc(B(O)O)cc3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.45
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ CYP11B1 P15538 5/20 0.40
▸ CYP11B2 P19099 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HTT P42858 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CSF1R P07333 2/20 0.40
▸ KDR P35968 2/20 0.39
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL22533872 0.82 FGFR1 (0.42) FGFR1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL22533521 0.82 CYP11B1 (0.44) HDAC1HDAC6CYP11B1CYP11B2SMN1; SMN2
SCHEMBL22533436 0.81 CYP11B1 (0.40) HDAC1HDAC6CYP11B1CYP11B2SMN1; SMN2
SCHEMBL22533825 0.81 ENPP1 (0.48) FGFR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22533918 0.80 LMNA (0.42) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL22533896 0.79 HDAC3 (0.49) FGFR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22533542 0.79 CYP11B1 (0.39) HDAC1HDAC6CYP11B1CYP11B2SMN1; SMN2
SCHEMBL22533605 0.77 DCTPP1 (0.53) HDAC1HDAC6SMN1; SMN2TNF
SCHEMBL3168988 0.74 CYP11B1 (0.69) HDAC1HDAC6CYP11B1CYP11B2SMN1; SMN2
SCHEMBL22533662 0.74 CYP11B1 (0.38) HDAC1HDAC6CYP11B1CYP11B2SMN1; SMN2

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 7 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-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-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 FGFR1 2738/4885HDAC3 1394/4885HDAC4 2507/4885

“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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