SCHEMBL26373986

SCHEMBL26373986

O=C(O)c1ccc2ncn(Cc3ccc(B(O)O)cc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ PABPC1 P11940 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ FGFR1 P11362 1/20 0.47
▸ PLA2G4A P47712 1/20 0.46
▸ BRD4 O60885 2/20 0.44
▸ MMP13 P45452 2/20 0.43
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ TNF P01375 1/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL31298244 1.00 MEN1 (0.49) MEN1TP53PABPC1KMT2AHDAC1
Trifluoroacetic Acid SCHEMBL22533411 0.93 MEN1 (0.44) MEN1TP53PABPC1KMT2AHDAC1
SCHEMBL22533960 0.90 MEN1 (0.49) MEN1TP53PABPC1KMT2AHDAC1
SCHEMBL27441300 0.89 HDAC1 (0.50) HDAC1HDAC6BRD4MMP13CYP11B1
SCHEMBL22533663 0.86 BRD4 (0.57) HDAC1HDAC6FGFR1BRD4MMP13
SCHEMBL22533427 0.86 HDAC1 (0.50) HDAC1HDAC6BRD4MMP13FLT3
SCHEMBL29424695 0.86 HDAC1 (0.50) HDAC1HDAC6BRD4MMP13FLT3
SCHEMBL29424736 0.86 BRD4 (0.57) HDAC1HDAC6FGFR1BRD4MMP13
SCHEMBL13508660 0.86 CYP11B1 (0.57) MEN1TP53PABPC1KMT2AHDAC1
SCHEMBL1608848 0.85 CYP11B1 (0.60) MEN1TP53PABPC1KMT2AHDAC1

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 3 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

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 MEN1 2309/4885TP53 4430/4885PABPC1 1085/4885

“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