SCHEMBL161735

SCHEMBL161735

CSc1nc(O)c2cc[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PDK1 Q15118 4/20 0.38
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
DYRK1A Q13627 2/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CXCR2 P25025 1/20 0.32
HPGD P15428 1/20 0.32
PRKCI P41743 3/20 0.32

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
SCHEMBL14029857 0.80 ADORA2A (0.43) ADORA2AADORA1PDK1PDK2PDK3
SCHEMBL2564796 0.79 ADORA2A (0.42) ADORA2AADORA1PDK1DYRK1ALMNA
SCHEMBL7655789 0.79 DYRK1A (0.42) ADORA2AADORA1PDK1PDK2PDK3
SCHEMBL10012874 0.79 ADORA2A (0.39) ADORA2AADORA1PDK1PDK2PDK3
SCHEMBL4016987 0.76 MAPT (0.39) ADORA2AADORA1PDK1DYRK1AMAPK1
SCHEMBL14004647 0.76 ADORA2A (0.37) ADORA2AADORA1PDK1PDK2PDK3
SCHEMBL3126517 0.76 ADORA2A (0.42) ADORA2AADORA1DYRK1AMAPK1PRKCI
7-Deazaxanthine SCHEMBL1014230 0.75 DYRK1A (0.40) ADORA2AADORA1DYRK1AMAPK1PRKCI
SCHEMBL166205 0.74 TRPA1 (0.38) DYRK1AMAPK1MEN1KMT2AMAPT
SCHEMBL7016051 0.72 LRRK2 (0.42) PDK1MEN1KMT2AALDH1A1MAPT

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 21 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-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
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2021-09-23 US disclosed
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2021-09-23 US disclosed
CN-113329753-A Novel pyrimidine derivatives for the prevention and treatment of gram-negative bacterial infections, contaminations and dirt 列日大学 2021-08-31 CN disclosed
US-20210061804-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS Université de Liège (BE) 2021-03-04 US 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
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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 (5 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-20210061804-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS TYMP, TYMS, UMPS ADORA2A 147/4885ADORA1 120/4885PDK1 1088/4885
US-12318388-B2 Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling PIGS, TYMP, TYMS ADORA2A 288/4885ADORA1 379/4885PDK1 2578/4885
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING PIGS, TYMP, TYMS ADORA2A 288/4885ADORA1 379/4885PDK1 2578/4885
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 ADORA2A 1933/4885ADORA1 3035/4885PDK1 389/4885
US-11434241-B2 Pyrimidine derivatives for prevention and treatment of bacterial infections TYMP, TYMS, UMPS ADORA2A 147/4885ADORA1 120/4885PDK1 1088/4885

“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.