SCHEMBL24000656

SCHEMBL24000656

CN(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.66
ROCK1 Q13464 11/20 0.55
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAMPT P43490 1/20 0.46
ENPP1 P22413 1/20 0.46
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL25237495 0.85 ROCK2 (0.80) ROCK2ROCK1NCOA1NCOA3MAPK1
SCHEMBL30450065 0.82 ROCK2 (0.62) ROCK2ROCK1NCOA1NCOA3MAPK1
SCHEMBL24000801 0.81 ROCK2 (0.53) ROCK2ROCK1NCOA1NCOA3MAPK1
SCHEMBL24000187 0.80 ROCK2 (0.63) ROCK2ROCK1NCOA1NCOA3MAPK1
SCHEMBL30088707 0.80 ROCK2 (0.63) ROCK2ROCK1NCOA1NCOA3MAPK1
SCHEMBL17311550 0.80 ROCK2 (1.00) ROCK2ROCK1NCOA1NCOA3KDM4E
SCHEMBL28917113 0.76 ROCK2 (0.63) ROCK2ROCK1NCOA1NCOA3MAPK1
SCHEMBL7190668 0.75 RIPK1 (0.57)
SCHEMBL15893961 0.74 ROCK1 (0.62) ROCK2ROCK1MAPK1
SCHEMBL6782025 0.74 PARP1 (0.46) ROCK2ROCK1NCOA1NCOA3MAPK1

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
CN-115515939-A Novel phthalazine derivatives having an inhibitory activity on ectonucleotide pyrophosphatase-phosphodiesterase and their use 谛希诺生物科技有限公司 2022-12-23 CN claimed
CN-115515939-B Novel phthalazine derivatives having activity of inhibiting exonucleotide pyrophosphatase-phosphodiesterase and their use 谛希诺生物科技有限公司 2024-12-13 CN disclosed
US-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2023-05-25 US disclosed
US-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2023-05-25 US disclosed
CN-115515939-A Novel phthalazine derivatives having an inhibitory activity on ectonucleotide pyrophosphatase-phosphodiesterase and their use 谛希诺生物科技有限公司 2022-12-23 CN disclosed
WO-2021225407-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 티씨노바이오사이언스 (KR) 2021-11-11 WO 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-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF ENPP1, ENPP3, PPA1 ROCK2 2177/4885ROCK1 1268/4885NCOA1 3066/4885

“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.