SCHEMBL4287394

SCHEMBL4287394

N#Cc1ccc(NC2CCCN([N+]34C=C(c5ccc(Cl)cc5Cl)N=CC3=NC=N4)C2)nc1N

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SCN9A Q15858 1/20 0.30
IL1B P01584 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
SCHEMBL2934351 0.86 CCR6 (0.41) GSK3B
SCHEMBL4284032 0.85 GSK3B (0.49) GSK3B
Hydrochloric Acid SCHEMBL4281663 0.85 CCR6 (0.41) GSK3B
SCHEMBL2932471 0.85 IL1B (0.33) GSK3BCNR1IL1B
Hydrochloric Acid SCHEMBL4281341 0.84 IL1B (0.32) GSK3BIL1B
SCHEMBL1918776 0.74 GSK3B (0.49) GSK3BCNR1CNR2IL1B
SCHEMBL2926625 0.73 CNR1 (0.33) GSK3BCNR1CNR2
SCHEMBL2930956 0.68 GSK3B (0.43) GSK3BCNR1CNR2IL1B
SCHEMBL4287388 0.68 GSK3B (0.51) GSK3BCNR1CNR2IL1B
SCHEMBL17012104 0.66 GSK3B (0.41) GSK3BCNR1CNR2IL1B

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 2707/4885CNR1 2270/4885CNR2 1737/4885

“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.