SCHEMBL15416366

SCHEMBL15416366

S=C=Nc1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
ABCB11 O95342 1/20 0.48
NR3C1 P04150 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX15 P16050 1/20 0.48
ADRA2C P18825 1/20 0.48
MAOA P21397 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48
CCR2 P41597 1/20 0.48
HSD17B10 Q99714 1/20 0.48
IMPDH2 P12268 2/20 0.44
IMPDH1 P20839 1/20 0.44
ATM Q13315 2/20 0.44

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
SCHEMBL4042175 0.81 IMPDH2 (0.44) CYP3A4TDP1HPGDALDH1A1HSD17B10
SCHEMBL30089259 0.81 IMPDH2 (0.44) CYP3A4TDP1HPGDALDH1A1HSD17B10
SCHEMBL4796603 0.76 ALDH1A1 (0.52) CYP3A4TDP1HPGDALDH1A1CYP1A2
SCHEMBL29307515 0.75 GPR84 (0.49) SLC6A4GPR84HTR2ATUBB4ATUBB
SCHEMBL17919422 0.74 ATM (0.48) CYP3A4TDP1HPGDALDH1A1CYP1A2
SCHEMBL11664491 0.74 ATM (0.54) CYP3A4TDP1HPGDALDH1A1CYP1A2
SCHEMBL7363256 0.74 HPGD (0.48) CYP3A4TDP1HPGDALDH1A1IMPDH2
SCHEMBL724284 0.74 ATM (0.54) CYP3A4TDP1HPGDALDH1A1ADRA2A
SCHEMBL927315 0.73 ATP4A (0.52) CYP3A4TDP1HPGDALDH1A1CYP1A2
SCHEMBL5380803 0.72 ALDH1A1 (0.68) CYP3A4TDP1HPGDALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104271114-B Oral film containing opiate enteric release beads LTS勒曼治疗系统股份公司 2019-12-03 CN claimed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO disclosed
CN-117679402-A Application of sulforaphane in preparation of medicine for treating ulcerative colitis 北京化工大学 2024-03-12 CN disclosed
CN-115650885-A Preparation method of N-acyl-2-amino acrylate 新乡学院 2023-01-31 CN disclosed
EP-2872502-B1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-14 US disclosed
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-14 US disclosed
US-9206191-B2 Indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-12-08 US disclosed
US-9206191-B2 Indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-12-08 US disclosed
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
EP-2872502-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
WO-2014009302-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 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 (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-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 CYP3A4 38/4885TDP1 3483/4885HPGD 3850/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS CYP3A4 2214/4885TDP1 510/4885HPGD 824/4885
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 CYP3A4 38/4885TDP1 3483/4885HPGD 3850/4885

“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.