SCHEMBL3965724

SCHEMBL3965724

CCCCSc1nc(NCc2c(F)ccc(C)c2F)c2ncn(Cc3c(F)ccc(C)c3F)c2n1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL29385930 1.00 CTSL (0.39) CTSLJAK2JAK1JAK3PDE4A
SCHEMBL22580554 0.86 CDK1 (0.39) CTSLJAK2JAK1JAK3PDE4A
SCHEMBL29388853 0.86 CDK1 (0.39) CTSLJAK2JAK1JAK3PDE4A
SCHEMBL3957915 0.85 ADORA3 (0.41)
SCHEMBL31124605 0.79 CDK1 (0.53) CTSL
SCHEMBL22580630 0.79 CDK1 (0.53) CTSL
SCHEMBL22580632 0.77 PDE4A (0.43) CTSLJAK2JAK1JAK3PDE4A
SCHEMBL31124606 0.77 PDE4A (0.43) CTSLJAK2JAK1JAK3PDE4A
SCHEMBL21282857 0.76 CNR2 (0.35)
SCHEMBL30464126 0.76 CNR2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO claimed
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
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
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-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
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
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
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 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 (2 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 CTSL 1654/4885JAK2 4605/4885JAK1 3056/4885
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING PIGS, TYMP, TYMS CTSL 1654/4885JAK2 4605/4885JAK1 3056/4885

“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.