SCHEMBL4293359

SCHEMBL4293359

CCC(=O)c1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)nn3cnnc23)nc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
CRHR1 P34998 3/20 0.35
GSK3B P49841 8/20 0.35
GSK3A P49840 3/20 0.35
CDK1 P06493 2/20 0.34
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CHRNA7 P36544 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CCNB2 O95067 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 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
SCHEMBL2931397 0.88 GSK3B (0.35) GSK3BGSK3ACDK1KMT2ARXFP1
SCHEMBL4278773 0.82 GSK3B (0.39) GSK3BGSK3ACDK1RXFP1CNR1
SCHEMBL2933462 0.78 GSK3B (0.41) DPP4CRHR1GSK3BCNR1
SCHEMBL2974019 0.77 GSK3B (0.46) DPP4CRHR1GSK3BGSK3ACDK1
SCHEMBL4286901 0.74 GSK3B (0.55) DPP4GSK3BGSK3ACDK1RXFP1
SCHEMBL16474651 0.68 DPP4 (0.34) DPP4CRHR1GSK3BGSK3ACDK1
SCHEMBL2974024 0.67 GSK3B (0.33) DPP4CRHR1GSK3BGSK3ACDK1
SCHEMBL2933827 0.66 GSK3B (0.39) DPP4GSK3BCNR1ALDH1A1
SCHEMBL1963687 0.66 DPP4 (0.36) DPP4CRHR1GSK3BGSK3ACNR1
SCHEMBL2935927 0.66 GSK3B (0.45) GSK3BGSK3ACDK1CCNB2CCNB1

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 DPP4 669/4885CRHR1 3827/4885GSK3B 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.