SCHEMBL27441300

SCHEMBL27441300

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ MMP13 P45452 1/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ CYP11B1 P15538 4/20 0.43
▸ CYP11B2 P19099 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ F10 P00742 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL22533911 0.92 HDAC1 (0.44) HDAC1HDAC6MMP13BRD4CYP11B1
Trifluoroacetic Acid SCHEMBL29424806 0.92 HDAC1 (0.44) HDAC1HDAC6MMP13BRD4CYP11B1
SCHEMBL27442458 0.91 HDAC1 (0.48) HDAC1HDAC6MMP13BRD4CYP11B1
SCHEMBL31298219 0.90 HDAC1 (0.50) HDAC1HDAC6CYP11B1CYP11B2SMN1; SMN2
SCHEMBL26255001 0.90 HDAC1 (0.50) HDAC1HDAC6CYP11B1CYP11B2SMN1; SMN2
SCHEMBL26373986 0.89 MEN1 (0.49) HDAC1HDAC6MMP13BRD4CYP11B1
SCHEMBL31298244 0.89 MEN1 (0.49) HDAC1HDAC6MMP13BRD4CYP11B1
SCHEMBL22533663 0.85 BRD4 (0.57) HDAC1HDAC6MMP13BRD4CYP11B2
SCHEMBL22533427 0.85 HDAC1 (0.50) HDAC1HDAC6MMP13BRD4SMN1; SMN2
SCHEMBL29424695 0.85 HDAC1 (0.50) HDAC1HDAC6MMP13BRD4SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2025-02-06 — — US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HDAC1 661/4885HDAC6 982/4885MMP13 2460/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 HDAC1 697/4885HDAC6 1045/4885MMP13 2543/4885

“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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