SCHEMBL2928617

SCHEMBL2928617

N#Cc1ccc(NCCNc2nc(-c3ccc(F)cc3F)cn3ncnc23)nc1N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
GSK3B P49841 4/20 0.35
F2RL3 Q96RI0 1/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MBOAT4 Q96T53 3/20 0.31
EGLN2 Q96KS0 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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 SCHEMBL4293345 0.99 ADORA2A (0.36) ADORA2AADORA1GSK3BF2RL3TLR9
SCHEMBL2928118 0.85 GSK3B (0.48) GSK3BEGLN2CYP1A2CYP3A4CYP2C9
SCHEMBL2926618 0.84 GSK3B (0.50) GSK3BJAK2JAK1
Hydrochloric Acid SCHEMBL4283478 0.84 GSK3B (0.47) GSK3BEGLN2CYP1A2CYP3A4CYP2C9
SCHEMBL4279898 0.83 GSK3B (0.38) ADORA2AADORA1GSK3BF2RL3TLR9
SCHEMBL2936761 0.82 ADORA2A (0.34) ADORA2AADORA1GSK3BF2RL3JAK3
Hydrochloric Acid SCHEMBL4292984 0.81 ADORA2A (0.34) ADORA2AADORA1GSK3BF2RL3JAK3
SCHEMBL8039872 0.74 GSK3B (0.39) GSK3BJAK3CYP1A2CYP3A4SLC6A3
Hydrochloric Acid SCHEMBL4287764 0.73 GSK3B (0.38) GSK3BJAK3CYP1A2SLC6A3
SCHEMBL8145402 0.70 GSK3B (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229392-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE AS GSK3BETA INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-22 EP 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
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 ADORA2A 2769/4885ADORA1 3658/4885GSK3B 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.