SCHEMBL6403829

SCHEMBL6403829

Cn1c(N)nc(N)cc1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.49
KDM4E B2RXH2 1/20 0.44
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
BRPF1 P55201 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
SCHEMBL25575726 0.80 CDK9 (0.41) BACE1SCN5ASCN9ABRPF1
SCHEMBL27370401 0.80 BACE1 (0.47) BACE1KDM4E
SCHEMBL24879507 0.78 SCN5A (0.40) BACE1SCN5ASCN9ABRPF1
SCHEMBL5662165 0.78 BACE1 (0.46) BACE1KDM4E
SCHEMBL5663091 0.75 BACE1 (0.44) BACE1KDM4E
SCHEMBL9409123 0.75 SCN5A (0.51) BACE1KDM4ESCN5ASCN9ABRPF1
SCHEMBL9300556 0.75 MAPT (0.39) BACE1SCN5ASCN9ABRPF1
SCHEMBL5334890 0.74 BACE1 (0.58) BACE1KDM4E
SCHEMBL6542445 0.73 CLK4 (0.34) BACE1KDM4E
SCHEMBL15427623 0.72 BACE1 (0.51) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406911-B1 6-[2-(PHOSPHONOMETHOXY)ALKOXY] PYRIMIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY ACAD OF SCIENCE CZECH REPUBLIC (CZ) 2016-01-06 EP disclosed
US-20050038058-A1 Novel compounds and methods for therapy INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY 2005-02-17 US disclosed
US-6818633-B2 Antiviral for RNA or DNA viruses such as HIV, HBV or HSV; acyclic pyrimidine nucleoside phosphonate analogues; 2,4-diamino-6-[2-(phosphonomethoxy)ethoxy]pyrimidine; ; alkylating the 6-hydroxypyrimidine base with a dialkyl 2-chloroethoxymethylphosphonate INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2004-11-16 US disclosed
EP-1406911-A1 6-[2-(PHOSPHONOMETHOXY)ALKOXY]PYRIMIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2004-04-14 EP disclosed
US-20030109499-A1 Novel compounds and methods for therapy INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ACADEMY OF SCIENCES 2003-06-12 US disclosed
WO-2003002580-A1 6-`2-(PHOSPHONOMETHOXY)ALKOXY PYRIMIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OFTHE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2003-01-09 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-20050038058-A1 Novel compounds and methods for therapy ZC3HAV1, IFNAR1, EIF2AK2 BACE1 1657/4885KDM4E 2022/4885SCN5A 4845/4885
US-20030109499-A1 Novel compounds and methods for therapy IFNAR1, ZC3HAV1, EIF2AK2 BACE1 1102/4885KDM4E 2756/4885SCN5A 4770/4885

“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.