SCHEMBL26907913

SCHEMBL26907913

COc1ccc2c(c1)nnn2-c1c(F)cc(CN[SH](=O)=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MGAM O43451 1/20 0.32
▸ AMY1A P0DUB6 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32

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
SCHEMBL26907939 0.87 MAPT (0.35) PDE2APDE10AMAPTHCAR3KDM4E
SCHEMBL27120529 0.83 ENPP1 (0.45) MAPTHCAR3ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL26907906 0.83 DHODH (0.36) PDE2APDE10AMAPTHCAR3KDM4E
Hydrochloric Acid SCHEMBL26907872 0.82 SMO (0.40) MAPTHCAR3KDM4ENPC1RAB9A
SCHEMBL26907875 0.82 KMT2A (0.41) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL26907852 0.81 PDE2A (0.34) PDE2APDE10AMAPTHCAR3KDM4E
SCHEMBL26907871 0.81 IDO1 (0.38) PDE2APDE10AMAPTKDM4EALDH1A1
SCHEMBL26907946 0.80 SMN1; SMN2 (0.41) MAPTHCAR3KDM4ENPC1RAB9A
SCHEMBL26907954 0.80 MAPT (0.38) MAPTHCAR3KDM4ENPC1RAB9A
SCHEMBL26907882 0.80 NR1I2 (0.37) MAPTKDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116882-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2024-04-11 — — US claimed
EP-4286374-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-12-06 — — EP claimed
CN-116724026-A Novel benzotriazole derivatives having inhibitory activity against dinucleotide pyrophosphatase-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-09-08 — — CN claimed
US-20240116882-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2024-04-11 — — US disclosed
EP-4286374-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-12-06 — — EP disclosed
CN-116724026-A Novel benzotriazole derivatives having inhibitory activity against dinucleotide pyrophosphatase-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-09-08 — — 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 (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-20240116882-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF ENPP1, ENPP3, TPP1 PDE2A 163/4885PDE10A 171/4885MAPT 76/4885

“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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