SCHEMBL2933827

SCHEMBL2933827

Nc1nc(NC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)nn4cnnc34)C2)ccc1C(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
GPR6 P46095 2/20 0.35
IL1B P01584 4/20 0.35
PROKR1 Q8TCW9 3/20 0.33
BTK Q06187 1/20 0.32
HCRTR1 O43613 1/20 0.31
NLRP3 Q96P20 1/20 0.31
CCNC P24863 2/20 0.31
CDK8 P49336 2/20 0.31
CNR1 P21554 1/20 0.31
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
F9 P00740 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
SCHEMBL2933462 0.89 GSK3B (0.41) GSK3BIL1BBTKNLRP3CNR1
SCHEMBL13658210 0.85 GSK3B (0.39) GSK3BIL1BNLRP3ALDH1A1
SCHEMBL2930956 0.83 GSK3B (0.43) GSK3BIL1BNLRP3CNR1DPP4
SCHEMBL8037163 0.81 GSK3B (0.47) GSK3BGPR6IL1BPROKR1BTK
SCHEMBL7956666 0.80 GSK3B (0.47) GSK3BGPR6IL1BBTKHCRTR1
Hydrochloric Acid SCHEMBL4281336 0.80 GSK3B (0.46) GSK3BGPR6IL1BPROKR1BTK
Hydrochloric Acid SCHEMBL2247528 0.80 GSK3B (0.46) GSK3BGPR6IL1BBTKHCRTR1
SCHEMBL1919457 0.79 GSK3B (0.45) GSK3BGPR6IL1BNLRP3CNR1
SCHEMBL2935250 0.78 JAK3 (0.42) GSK3BGPR6DPP4
SCHEMBL1919395 0.78 GSK3B (0.48) GSK3BGPR6IL1BBTKNLRP3

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 6 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
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 GSK3B 2707/4885GPR6 4622/4885IL1B 1719/4885

“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.