SCHEMBL4284032

SCHEMBL4284032

N#Cc1sc(NC2CCCN([N+]34C=C(c5ccc(Cl)cc5Cl)N=CC3=NC=N4)C2)nc1N

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.49

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
SCHEMBL4287394 0.85 GSK3B (0.34) GSK3B
SCHEMBL2934351 0.80 CCR6 (0.41) GSK3B
Hydrochloric Acid SCHEMBL4281663 0.80 CCR6 (0.41) GSK3B
SCHEMBL2932471 0.76 IL1B (0.33) GSK3B
Hydrochloric Acid SCHEMBL4281341 0.76 IL1B (0.32) GSK3B
SCHEMBL4286336 0.73 GSK3B (0.48) GSK3B
SCHEMBL12680894 0.70 GSK3B (0.57) GSK3B
SCHEMBL12680787 0.69 GSK3B (0.57) GSK3B
SCHEMBL4284030 0.68 GSK3B (0.70) GSK3B
SCHEMBL8140792 0.66 GSK3B (1.00) GSK3B

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 2707/4885

“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.