SCHEMBL7044696

SCHEMBL7044696

CCC1CCCCC1Nc1nc(C)c([N+](=O)[O-])c(-c2ncc[nH]2)n1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
PDE5A O76074 1/20 0.30
PDE9A O76083 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 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
SCHEMBL7115826 0.79 CDC7 (0.35) JAK2JAK1
SCHEMBL7049035 0.79 GRM5 (0.34)
SCHEMBL6693085 0.78 PTPN11 (0.37)
SCHEMBL6693089 0.78 PTPN11 (0.37)
SCHEMBL7645268 0.77 BTK (0.33)
SCHEMBL7044694 0.75 PRKCQ (0.38)
SCHEMBL6697717 0.74 GRIA1 (0.34)
SCHEMBL6697713 0.74 GRIA1 (0.34)
SCHEMBL7047804 0.71 ADRA1A (0.32)
SCHEMBL7046695 0.68 ALDH1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 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 (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 JAK2 3957/4885JAK1 1252/4885JAK3 1014/4885

“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.