SCHEMBL1760914

SCHEMBL1760914

CSc1nc(O)c([N+](=O)[O-])c(O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
TDP1 Q9NUW8 3/20 0.46
GABBR2 O75899 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
HASPIN Q8TF76 1/20 0.36
TNFSF10 P50591 1/20 0.36
GFER P55789 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 1/20 0.32
CTSB P07858 1/20 0.31
CTSH P09668 1/20 0.31
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALPL P05186 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
SCHEMBL16182530 0.87 KMT2A (0.41) KMT2AMEN1TDP1GABBR2CYP1A2
SCHEMBL21274047 0.79 HASPIN (0.40) KMT2AMEN1CYP1A2CYP2C19HASPIN
SCHEMBL1254621 0.76 HASPIN (0.42) KMT2AMEN1HASPINALDH1A1LMNA
SCHEMBL596867 0.76 TDP1 (0.38) KMT2AMEN1TDP1GFERALDH1A1
SCHEMBL10916212 0.75 KMT2A (0.46) KMT2AMEN1TDP1GABBR2CYP1A2
SCHEMBL1760875 0.75 KMT2A (0.46) KMT2AMEN1TDP1GABBR2CYP1A2
SCHEMBL3633581 0.75 MEN1 (0.37) KMT2AMEN1TDP1GFERALDH1A1
SCHEMBL11857075 0.73 HASPIN (0.44) HASPINLMNAMAPK1POLBALPL
SCHEMBL5405499 0.72 KMT2A (0.59) KMT2AMEN1TDP1GABBR2CYP1A2
SCHEMBL10680837 0.72 KMT2A (0.45) KMT2AMEN1TDP1CYP1A2CYP2C9

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 151 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
WO-2023213198-A1 USE OF AROMATIC FUSED RING COMPOUND AS TREK-1 ACTIVATOR, AND PHARMACEUTICAL COMPOSITION AND ANALGESIC CONTAINING SAME 华东师范大学 2023-11-09 WO disclosed
CN-117003756-A Use of aromatic condensed-cyclic compounds as TREK-1 activators, pharmaceutical compositions containing same, analgesics 华东师范大学 2023-11-07 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
EP-3955929-A1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2022-02-23 EP disclosed
US-7253174-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed
US-20060276488-A1 N-heterocyclic inhibitors of TNF-alpha expression BRISTOL-MYERS SQUIBB COMPANY 2006-12-07 US disclosed
US-20030139435-A1 N-heterocyclic inhibitors of TNF-alpha expression BRISTOL-MYERS SQUIBB COMPANY 2003-07-24 US disclosed
EP-0946561-B1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2002-02-13 EP disclosed
US-6297232-B1 TREATMENT OF PLATELET AGGREGATION DISORDERS. ASTRAZENECA AB (SE) 2001-10-02 US disclosed
EP-0946561-A1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS Astra Pharmaceuticals Limited (GB) 1999-10-06 EP disclosed
WO-1998028300-A1 TRIAZOLO[4,5-D]PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRA PHARMACEUTICALS LTD. (GB) 1998-07-02 WO disclosed
US-5397781-A Pyrimidine derivatives MOCHIDA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-03-14 US disclosed
EP-0561175-A1 Pyrimidine derivatives and pharmaceutical compostions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-09-22 EP disclosed
US-3975384-A ANTITHROMBOTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 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 (4 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-20030139435-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, TNFRSF1A KMT2A 3433/4885MEN1 3985/4885TDP1 2311/4885
US-12318388-B2 Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling PIGS, TYMP, TYMS KMT2A 4361/4885MEN1 4473/4885TDP1 1228/4885
US-20060276488-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA KMT2A 3400/4885MEN1 4254/4885TDP1 2715/4885
US-11434241-B2 Pyrimidine derivatives for prevention and treatment of bacterial infections TYMP, TYMS, UMPS KMT2A 4047/4885MEN1 3984/4885TDP1 491/4885

“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.