SCHEMBL4286331

SCHEMBL4286331

N#Cc1sc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3ncnc23)nc1N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.73
LMNA P02545 1/20 0.37
CLK1 P49759 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3A P49840 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DYRK1A Q13627 1/20 0.31
AMY1A P0DUB6 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 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
SCHEMBL8132470 0.85 GSK3B (1.00) GSK3BLMNACLK1KDM4EMAPT
SCHEMBL1514132 0.83 GSK3B (0.72) GSK3BLMNAKDM4EMAPTTDP1
SCHEMBL2926618 0.82 GSK3B (0.50) GSK3BLMNACLK1KDM4EMAPT
SCHEMBL1514076 0.82 GSK3B (0.72) GSK3BLMNAKDM4EMAPTTDP1
SCHEMBL8144946 0.80 GSK3B (0.84) GSK3BLMNAMAPTMEN1KMT2A
SCHEMBL4282883 0.79 GSK3B (0.67) GSK3BLMNAKDM4EMAPTTDP1
SCHEMBL12680833 0.79 GSK3B (0.58) GSK3BCLK1KDM4EMAPTTDP1
Trifluoroacetic Acid SCHEMBL1514216 0.78 GSK3B (0.85) GSK3B
SCHEMBL8131726 0.77 GSK3B (0.64) GSK3BLMNAGSK3A
SCHEMBL1514100 0.76 GSK3B (0.75) GSK3BKDM4EMAPTMEN1KMT2A

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 GSK3B 2707/4885LMNA 3230/4885CLK1 844/4885

“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.