SCHEMBL2933462

SCHEMBL2933462

CCC(=O)c1ccc(NC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)nn4cnnc34)C2)nc1N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
DPP4 P27487 1/20 0.34
CRHR1 P34998 1/20 0.34
IL1B P01584 3/20 0.33
BTK Q06187 7/20 0.33
CCNK O75909 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CDK7 P50613 2/20 0.33
CCNH P51946 2/20 0.33
MNAT1 P51948 2/20 0.33
CDK12 Q9NYV4 2/20 0.33
NLRP3 Q96P20 2/20 0.33
CNR1 P21554 2/20 0.32
AURKA O14965 1/20 0.32
TEC P42680 1/20 0.32
TXK P42681 1/20 0.32
BMX P51813 1/20 0.32
ITK Q08881 1/20 0.32

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
SCHEMBL2933827 0.89 GSK3B (0.39) GSK3BDPP4IL1BBTKNLRP3
SCHEMBL13658210 0.84 GSK3B (0.39) GSK3BIL1BNLRP3
SCHEMBL2930956 0.83 GSK3B (0.43) GSK3BDPP4IL1BCDK2NLRP3
SCHEMBL2935250 0.78 JAK3 (0.42) GSK3BDPP4CCNKCCNA2CDK2
SCHEMBL4293359 0.78 DPP4 (0.37) GSK3BDPP4CRHR1CNR1
SCHEMBL1962806 0.72 GSK3B (0.38) GSK3BDPP4CRHR1BTKCNR1
SCHEMBL8003442 0.71 GSK3B (0.37) GSK3BDPP4CRHR1BTKCNR1
SCHEMBL2936809 0.70 MAPT (0.33) GSK3B
SCHEMBL8037163 0.69 GSK3B (0.47) GSK3BIL1BBTKTECTXK
Hydrochloric Acid SCHEMBL4280024 0.69 MAPT (0.33) 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 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 2707/4885DPP4 669/4885CRHR1 3827/4885

“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.