SCHEMBL29424719

SCHEMBL29424719

Cc1cc(B(O)O)ccc1Cn1cnc2ccc(C(N)=O)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.48
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ F10 P00742 4/20 0.39
▸ F2 P00734 3/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ PLAA Q9Y263 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ ALPG P10696 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FLT3 P36888 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
SCHEMBL22533669 1.00 TNF (0.48) TNFCYP11B1CYP11B2F10F2
SCHEMBL27442466 0.93 TNF (0.47) TNFCYP11B1CYP11B2F10F2
SCHEMBL29424729 0.91 TNF (0.48) TNFCYP11B1CYP11B2F10PLAA
SCHEMBL22533723 0.91 TNF (0.48) TNFCYP11B1CYP11B2F10PLAA
SCHEMBL22533603 0.87 BRD4 (0.47) TNFCYP11B1CYP11B2MAPK1LMNA
SCHEMBL29424816 0.87 BRD4 (0.47) TNFCYP11B1CYP11B2MAPK1LMNA
SCHEMBL27442542 0.84 TNF (0.50) TNFCYP11B1CYP11B2F10F2
SCHEMBL27442463 0.84 TNF (0.47) TNFCYP11B1CYP11B2F10PLAA
SCHEMBL27441300 0.83 HDAC1 (0.50) TNFCYP11B1CYP11B2F10F2
SCHEMBL22547182 0.81 F10 (0.35) TNFF10F2PRSS1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-11-17 — — US 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

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 TNF 4212/4885CYP11B1 119/4885CYP11B2 158/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 TNF 4199/4885CYP11B1 127/4885CYP11B2 166/4885
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 TNF 4199/4885CYP11B1 127/4885CYP11B2 166/4885

“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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