SCHEMBL26907950

SCHEMBL26907950

COc1ccc2c(c1)nnn2CC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 5/20 0.55
GRM2 Q14416 2/20 0.48
TDP1 Q9NUW8 1/20 0.45
LCK P06239 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.41
PIK3CA P42336 1/20 0.41
PRKDC P78527 1/20 0.41
MAPT P10636 1/20 0.41
HCAR3 P49019 1/20 0.41
HPGDS O60760 1/20 0.40
HTR2C P28335 1/20 0.39
MGAM O43451 1/20 0.39
AMY1A P0DUB6 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL29769983 1.00 TDO2 (0.55) TDO2GRM2TDP1LCKIRAK4
SCHEMBL3475681 0.91 GRM2 (0.57) TDO2GRM2TDP1MAPTHCAR3
SCHEMBL29769995 0.80 GRM2 (0.44) TDO2GRM2MAPTHCAR3HPGDS
SCHEMBL26907901 0.80 GRM2 (0.44) TDO2GRM2MAPTHCAR3HPGDS
SCHEMBL10625058 0.78 TDO2 (0.59) TDO2GRM2MAPT
Hydrochloric Acid SCHEMBL29769997 0.78 SMN1; SMN2 (0.48) TDP1IRAK4MAPTHCAR3HPGDS
Hydrochloric Acid SCHEMBL26907902 0.78 SMN1; SMN2 (0.48) TDP1IRAK4MAPTHCAR3HPGDS
SCHEMBL19848202 0.76 MAPT (0.61) TDP1MAPTHCAR3MGAMAMY1A
SCHEMBL19911513 0.75 HCAR3 (0.47) TDP1MAPTHCAR3HTR2CMGAM
SCHEMBL19911508 0.75 HCAR3 (0.47) TDP1MAPTHCAR3MGAMAMY1A

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 TDO2 708/4885GRM2 3371/4885TDP1 24/4885

“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.