SCHEMBL2974019

SCHEMBL2974019

CCC(=O)c1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3ncnc23)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.46
DPP4 P27487 1/20 0.38
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
CRHR1 P34998 1/20 0.35
GSK3A P49840 3/20 0.35
CDK1 P06493 2/20 0.34
CHRNA7 P36544 1/20 0.34
CCNB2 O95067 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
SCN10A Q9Y5Y9 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 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
SCHEMBL2935927 0.88 GSK3B (0.45) GSK3BKDM4EHPGDCYP2C19LMNA
SCHEMBL13658215 0.82 GSK3B (0.52) GSK3BLMNAGSK3ACDK1CCNB2
SCHEMBL2926618 0.82 GSK3B (0.50) GSK3BKDM4ELMNAGSK3ACDK1
SCHEMBL8039872 0.81 GSK3B (0.39) GSK3BSCN10A
Hydrochloric Acid SCHEMBL4287764 0.80 GSK3B (0.38) GSK3BSCN10A
Trifluoroacetic Acid SCHEMBL2929092 0.80 GSK3B (0.47) GSK3BDPP4CYP2C19LMNAGSK3A
SCHEMBL4293359 0.77 DPP4 (0.37) GSK3BDPP4CRHR1GSK3ACDK1
SCHEMBL4282883 0.75 GSK3B (0.67) GSK3BDPP4KDM4ELMNAGSK3A
SCHEMBL2936761 0.74 ADORA2A (0.34) GSK3B
Hydrochloric Acid SCHEMBL4292984 0.74 ADORA2A (0.34) 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 669/4885KDM4E 4078/4885

“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.