SCHEMBL6793965

SCHEMBL6793965

NCc1cccc(-c2n[nH]c(=O)c3ccccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
PRMT5 O14744 3/20 0.54
FGFR2 P21802 2/20 0.52
FGFR3 P22607 2/20 0.52
FGFR1 P11362 1/20 0.52
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
ENPP1 P22413 1/20 0.50

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
Hydrochloric Acid SCHEMBL6794784 0.99 ATM (0.59) ATMNPSR1KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL30088684 0.99 ATM (0.59) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL15880419 0.86 ATM (0.67) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL29818691 0.85 ATM (0.66) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL6787165 0.85 ATM (0.61) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL6786871 0.85 ATM (0.61) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL28470252 0.85 ATM (0.66) ATMNPSR1KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL30089010 0.85 ATM (0.65) ATMNPSR1KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL29818821 0.83 ATM (0.62) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL6787839 0.82 AOC3 (0.62) ATMNPSR1KDM4EALDH1A1POLB

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
US-6677333-B1 ANTIISCHEMIC AGENTS; BRAIN, CARDIOVASCULAR, MUSCULAR, AND GASTROINTESTINAL DISORDERS; ANALGESICS, ANTIDIABETIC AGENTS; RETROVIRUS SENSITIZERS; ALZHEIMER*S DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-13 US claimed
EP-1148053-A1 2H-PHTHALAZIN-1-ONE DERIVATIVES AND DRUGS COMPRISING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 EP claimed
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
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 ATM 4824/4885NPSR1 1363/4885KDM4E 2943/4885

“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.