SCHEMBL7049039

SCHEMBL7049039

Cc1nc(-c2c[nH]c(NC3CCC(C)CC3)n2)ncc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
CDK2 P24941 1/20 0.33
GRM5 P41594 1/20 0.31
HCAR3 P49019 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RIPK1 Q13546 1/20 0.30

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
SCHEMBL7045658 0.88 PDGFRB (0.34) CDK2HCAR3MEN1KMT2ARIPK1
SCHEMBL7045433 0.88 PDGFRB (0.34) CDK2HCAR3MEN1KMT2ARIPK1
SCHEMBL7044687 0.83 JAK2 (0.35) GSK3AGSK3BCDK2MAPTMEN1
SCHEMBL7042761 0.81
SCHEMBL7042367 0.81
SCHEMBL7044698 0.79 CDK2 (0.31) CDK2
SCHEMBL7115828 0.77 PRKCQ (0.36) MAPT
SCHEMBL7047801 0.75
SCHEMBL10270108 0.64 MEN1 (0.44) GSK3AGSK3BCDK2HCAR3MAPT
SCHEMBL9761163 0.61 RIPK1 (0.53) GSK3AGSK3BCDK2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002064096-A9 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC (US) 2003-10-16 WO disclosed
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 US disclosed
WO-2002064096-A2 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2002-08-22 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 (1 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-20030130264-A1 Methods of using pyrimidine-based antiviral agents TYMP, TYMS, NUDT1 GSK3A 937/4885GSK3B 693/4885CDK2 196/4885

“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.