SCHEMBL8039872

SCHEMBL8039872

Nc1nc(NCCNc2nc(-c3ccc(F)cc3Cl)cn3ncnc23)ccc1C(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.39
SCN10A Q9Y5Y9 1/20 0.37
CYP1A2 P05177 3/20 0.31
JAK3 P52333 1/20 0.31
SLC6A3 Q01959 2/20 0.30
P2RX7 Q99572 1/20 0.30
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL4287764 0.99 GSK3B (0.38) GSK3BSCN10ACYP1A2JAK3SLC6A3
SCHEMBL2935927 0.93 GSK3B (0.45) GSK3BSCN10AP2RX7
SCHEMBL2936761 0.92 ADORA2A (0.34) GSK3BCYP1A2JAK3SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL4292984 0.91 ADORA2A (0.34) GSK3BCYP1A2JAK3SLC6A3CYP3A4
SCHEMBL2974019 0.81 GSK3B (0.46) GSK3BSCN10A
Trifluoroacetic Acid SCHEMBL2929092 0.80 GSK3B (0.47) GSK3BCYP1A2CYP3A4
SCHEMBL4279898 0.76 GSK3B (0.38) GSK3B
SCHEMBL13658215 0.76 GSK3B (0.52) GSK3B
SCHEMBL2926618 0.74 GSK3B (0.50) GSK3B
SCHEMBL2928617 0.74 ADORA2A (0.36) GSK3BCYP1A2JAK3SLC6A3CYP3A4

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 3 patents. 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
US-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
WO-2009074259-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO 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 2707/4885SCN10A 3751/4885CYP1A2 75/4885

“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.