SCHEMBL29424697

SCHEMBL29424697

CC(C)c1nc2ncccc2n1Cc1ccc(B(O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
DCTPP1 Q9H773 4/20 0.43
S1PR1 P21453 1/20 0.39
ALOX5AP P20292 4/20 0.37
BRD4 O60885 1/20 0.37
HTR6 P50406 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCRTR2 O43614 1/20 0.35
GAA P10253 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
SCHEMBL22533795 1.00 HDAC1 (0.44) HDAC1HDAC6DCTPP1S1PR1ALOX5AP
SCHEMBL29424701 0.82 DCTPP1 (0.43) HDAC1HDAC6DCTPP1ALOX5APHTR6
SCHEMBL22533632 0.82 DCTPP1 (0.43) HDAC1HDAC6DCTPP1ALOX5APHTR6
SCHEMBL22533977 0.81 TP53 (0.45) HDAC1HDAC6DCTPP1
SCHEMBL29424722 0.78 HTR6 (0.43) HDAC1HDAC6DCTPP1ALOX5APHTR6
SCHEMBL22533430 0.78 HTR6 (0.43) HDAC1HDAC6DCTPP1ALOX5APHTR6
SCHEMBL22533561 0.78 HDAC1 (0.40) HDAC1HDAC6DCTPP1ALOX5APGAA
SCHEMBL29424814 0.75 HTR6 (0.41) HDAC1HDAC6DCTPP1ALOX5APHTR6
SCHEMBL22533606 0.75 HTR6 (0.41) HDAC1HDAC6DCTPP1ALOX5APHTR6
SCHEMBL22533967 0.73 DCTPP1 (0.46) HDAC1HDAC6DCTPP1ALOX5APHTR6

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 HDAC1 661/4885HDAC6 982/4885DCTPP1 7/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 HDAC1 697/4885HDAC6 1045/4885DCTPP1 7/4885
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 HDAC1 697/4885HDAC6 1045/4885DCTPP1 7/4885

“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.