SCHEMBL4286336

SCHEMBL4286336

N#Cc1sc(NCCN[N+]23C=C(c4ccc(Cl)cc4Cl)N=CC2=NC=N3)nc1N

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.48
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GSK3A P49840 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL2926625 0.83 CNR1 (0.33) GSK3BGSK3ADYRK1ACLK4
SCHEMBL4282889 0.77 GSK3B (0.45) GSK3BGSK3ACLK4
SCHEMBL2974024 0.74 GSK3B (0.33) GSK3BGSK3A
SCHEMBL2935929 0.73 GSK3B (0.33) GSK3BGSK3A
SCHEMBL2932832 0.66 SCN10A (0.33)
SCHEMBL2931661 0.66 AHR (0.36)
Hydrochloric Acid SCHEMBL4287767 0.66 SCN10A (0.32)
SCHEMBL12680833 0.66 GSK3B (0.58) GSK3BMEN1KMT2AGSK3ADYRK1A
SCHEMBL3617487 0.66 GSK3B (0.65) GSK3BMEN1KMT2AGSK3ADYRK1A
SCHEMBL1514132 0.65 GSK3B (0.72) GSK3BMEN1KMT2AGSK3ADYRK1A

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-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 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-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE THPO, IL5, TPMT GSK3B 2707/4885MEN1 2668/4885KMT2A 1387/4885

“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.