SCHEMBL6418200

SCHEMBL6418200

Nc1ncnc2c1=CC(N)(C[C@@H]1CCCO1)NC=2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.36
CYP2C9 P11712 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
APEX1 P27695 1/20 0.32
PI4KA P42356 1/20 0.32
BLM P54132 1/20 0.32
ADCY1 Q08828 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MAP4K4 O95819 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31

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
SCHEMBL6239955 0.70 ALDH1A1 (0.34) CYP2C9MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL6418205 0.64 PDE8B (0.37) PDE8BCYP2C9MEN1KMT2ATP53
SCHEMBL3340212 0.64 ALDH1A1 (0.33) PDE8BCYP2C9MEN1KMT2AHSD17B10
SCHEMBL3342926 0.64 ALDH1A1 (0.33) PDE8BCYP2C9MEN1KMT2AHSD17B10
SCHEMBL3341702 0.64 ALDH1A1 (0.33) PDE8BCYP2C9MEN1KMT2AHSD17B10
SCHEMBL30515668 0.62 ALDH1A1 (0.37) CYP2C9MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3340214 0.61 ALDH1A1 (0.33) CYP2C9MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3341705 0.61 ALDH1A1 (0.33) CYP2C9MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3342929 0.61 ALDH1A1 (0.33) CYP2C9MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL28066962 0.58 PDE8B (0.40) PDE8BCYP2C9MEN1KMT2ATP53

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-20050038047-A1 Azaquinazoline derivatives EDWARDS PAUL JOHN (GB) 2005-02-17 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-20050038047-A1 Azaquinazoline derivatives AZI2, P2RX5, P2RX7 PDE8B 36/4885CYP2C9 429/4885MEN1 4259/4885

“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.