SCHEMBL4284332

SCHEMBL4284332

Nc1nc(NC2CCCN(c3nc(-c4ccc(F)cc4F)cn4ncnc34)C2)ccc1C(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.35
ACKR3 P25106 1/20 0.33
BTK Q06187 4/20 0.32
PDE2A O00408 1/20 0.32
KIT P10721 3/20 0.31
PIK3CD O00329 1/20 0.31
HCRTR1 O43613 2/20 0.31
GPR6 P46095 3/20 0.31
RIPK1 Q13546 1/20 0.31
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL8037163 0.88 GSK3B (0.47) GSK3BBTKKITHCRTR1GPR6
Hydrochloric Acid SCHEMBL4281336 0.88 GSK3B (0.46) GSK3BBTKKITHCRTR1GPR6
SCHEMBL3166278 0.85 PDE2A (0.33) ACKR3PDE2AKITADORA2AADORA1
Hydrochloric Acid SCHEMBL4292984 0.76 ADORA2A (0.34) GSK3BBTKNTRK1ADORA2AADORA1
SCHEMBL2246653 0.74 GSK3B (0.34) GSK3BPIK3CD
SCHEMBL2245172 0.73 KDM4E (0.39)
SCHEMBL7956666 0.72 GSK3B (0.47) GSK3BBTKHCRTR1GPR6
SCHEMBL1962713 0.72 BMPR1B (0.34) ACKR3BTKADORA2A
Hydrochloric Acid SCHEMBL2247528 0.72 GSK3B (0.46) GSK3BBTKHCRTR1GPR6
SCHEMBL4287388 0.71 GSK3B (0.51) GSK3BBTKJAK2

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 4 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
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 2707/4885ACKR3 1329/4885BTK 647/4885

“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.