SCHEMBL10074072

SCHEMBL10074072

CCSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
HSP90AA1 P07900 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 3/20 0.33
POLB P06746 3/20 0.33
LIG1 P18858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1254741 0.86 TLR7 (0.51) HASPINTLR7GRIN2DGRIN3BGRIN1
SCHEMBL1829942 0.83 HASPIN (0.44) HASPINTLR7SMN1; SMN2MAPTALDH1A1
SCHEMBL7480837 0.82 TLR7 (0.43) HASPINTLR7SMN1; SMN2MAPTALDH1A1
SCHEMBL1760875 0.79 KMT2A (0.46) HASPINTLR7MAPTALDH1A1MAPK1
SCHEMBL7181702 0.79 PGK1 (0.36) TLR7GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26640974 0.78 TLR7 (0.39) HASPINTLR7MAPTALDH1A1
SCHEMBL21274047 0.78 HASPIN (0.40) HASPINGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11780377 0.77 MAPT (0.36) TLR7SMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL16019753 0.77 TLR7 (0.47) HASPINTLR7MAPTALDH1A1MAPK1
SCHEMBL29121458 0.76 PTGER4 (0.34) TLR7MEN1KMT2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12318388-B2 Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling Université de Liège (BE) 2025-06-03 US disclosed
CN-113329753-B Pyrimidine derivatives for the prevention and treatment of gram-negative bacterial infections, pollution and fouling 列日大学 2024-08-13 CN disclosed
EP-3955929-B1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING UNIV LIEGE (BE) 2024-05-15 EP disclosed
CN-117736210-A Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2024-03-22 CN disclosed
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
CN-111386271-B Pyrimidine derivatives for the prevention and treatment of bacterial infections 列日大学 2023-05-30 CN disclosed
EP-3752506-B1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIV LIEGE (BE) 2022-12-14 EP disclosed
EP-3752506-B1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIV LIEGE (BE) 2022-12-14 EP disclosed
US-11434241-B2 Pyrimidine derivatives for prevention and treatment of bacterial infections Université de Liège (BE) 2022-09-06 US disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed
WO-2020212553-A1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2020-10-22 WO disclosed
CN-111386271-A Pyrimidine derivatives for the prevention and treatment of bacterial infections 列日大学 2020-07-07 CN disclosed
WO-2019158655-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIVERSITE DE LIEGE (BE) 2019-08-22 WO disclosed
WO-2019158655-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIVERSITE DE LIEGE (BE) 2019-08-22 WO disclosed
US-9056838-B2 Intermediates and processes for preparing Ticagrelor TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2015-06-16 US disclosed
US-9056838-B2 Intermediates and processes for preparing Ticagrelor TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2015-06-16 US disclosed
US-8148385-B2 Substituted [1,2,3] triazolo[4,5-d]pyrimidine derivatives as ADP P2Y12 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-03 US disclosed
US-8148385-B2 Substituted [1,2,3] triazolo[4,5-d]pyrimidine derivatives as ADP P2Y12 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-03 US disclosed
US-20080312257-A1 Triazolopyrimidine derivatives as ADP P2Y12 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-18 US disclosed
US-20080312257-A1 Triazolopyrimidine derivatives as ADP P2Y12 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-18 US 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-12318388-B2 Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling PIGS, TYMP, TYMS HASPIN 2047/4885TLR7 1334/4885GRIN2D 622/4885
US-11434241-B2 Pyrimidine derivatives for prevention and treatment of bacterial infections TYMP, TYMS, UMPS HASPIN 2336/4885TLR7 1835/4885GRIN2D 1606/4885
US-20080312257-A1 Triazolopyrimidine derivatives as ADP P2Y12 receptor antagonists P2RY12, P2RY1, P2RY2 HASPIN 1119/4885TLR7 448/4885GRIN2D 995/4885

“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.