SCHEMBL2564796

SCHEMBL2564796

CSc1nc(Cl)c2cc[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
AXL P30530 2/20 0.39
PRKCI P41743 2/20 0.39
DYRK1A Q13627 1/20 0.35
KDM4E B2RXH2 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
PDK1 Q15118 1/20 0.34
LMNA P02545 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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) ADORA2AADORA1AXLPRKCIDYRK1A
SCHEMBL7655789 0.79 DYRK1A (0.42) ADORA2AADORA1DYRK1AKDM4EL3MBTL1
SCHEMBL10012874 0.79 ADORA2A (0.39) ADORA2AADORA1AXLPRKCIDYRK1A
SCHEMBL161735 0.79 ADORA2A (0.39) ADORA2AADORA1AXLPRKCIDYRK1A
SCHEMBL20067823 0.77 KDM4E (0.46) ADORA2AADORA1KDM4ECYP1A2CYP2C9
SCHEMBL4016987 0.76 MAPT (0.39) ADORA2AADORA1DYRK1AKDM4ECYP1A2
SCHEMBL14004647 0.76 ADORA2A (0.37) ADORA2AADORA1AXLPRKCIDYRK1A
SCHEMBL30657785 0.76 METAP2 (0.40) ADORA2AADORA1AXLPRKCIKMT2A
SCHEMBL3124523 0.76 PRKCI (0.46) ADORA2AADORA1AXLPRKCIDYRK1A
SCHEMBL15557725 0.75 PRKCI (0.39) ADORA2AADORA1AXLPRKCIDYRK1A

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 48 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
CN-109328187-B Novel compound with FGFR (FGFR) inhibitory activity as well as preparation and application thereof 中国科学院上海药物研究所 2022-04-26 CN 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
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 US disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 EP disclosed
EP-0085440-B1 PRODUCTION OF 4-CHLORO-7-(2,3,5-TRI-O-BENZYL-BETA-D-ARABINOFURANOSYL)-7H-PYRROLO(2,3-D) PYRIMIDINE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1985-10-09 EP disclosed
EP-0057548-B1 7-BETA-D-ARABINOFURANOSYL-7H-PYRROLO(2,3-D)PYRIMIDINE-4-AMINE 5'-PHOSPHATE COMPOUNDS USEFUL AS ANTIVIRAL AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1985-07-03 EP disclosed
US-4439604-A 7-β-D-Arabinofuranosyl-7H-pyrrolo[2,3-d]pyrimidine compounds and methods for their production WARNER-LAMBERT COMPANY (US) 1984-03-27 US disclosed
EP-0085440-A1 Production of 4-chloro-7-(2,3,5-tri-O-benzyl-beta-D-arabinofuranosyl)-7H-pyrrolo(2,3-d) pyrimidine compounds WARNER-LAMBERT COMPANY (US) 1983-08-10 EP disclosed
US-4352795-A 7-β-D-Arabinofuranosyl-7H-pyrrolo[2,3-d]pyrimidine compounds and methods for their production WARNER-LAMBERT COMPANY (US) 1982-10-05 US disclosed
EP-0057548-A2 7-Beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-4-amine 5'-phosphate compounds useful as antiviral agents, pharmaceutical compositions containing the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1982-08-11 EP disclosed
US-3988338-A PLANT GROWTH REGULATORS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1976-10-26 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 ADORA2A 288/4885ADORA1 379/4885AXL 206/4885
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING PIGS, TYMP, TYMS ADORA2A 288/4885ADORA1 379/4885AXL 206/4885
US-11434241-B2 Pyrimidine derivatives for prevention and treatment of bacterial infections TYMP, TYMS, UMPS ADORA2A 147/4885ADORA1 120/4885AXL 201/4885

“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.