SCHEMBL5000576

SCHEMBL5000576

C1=CN(c2cnccn2)C=CN1c1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
SORD Q00796 1/20 0.36
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
MAOB P27338 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
CYP17A1 P05093 2/20 0.33
CYP1A2 P05177 2/20 0.33
SLC6A7 Q99884 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL977966 0.70 HSP90AA1 (0.37) HSP90AA1SORDKDM4ELMNAL3MBTL1
SCHEMBL29534409 0.70 HSP90AA1 (0.37) HSP90AA1SORDKDM4ELMNAL3MBTL1
SCHEMBL17714443 0.69 KCNJ1 (0.50)
SCHEMBL18228513 0.69 SORD (0.51) SORDKDM4ELMNAL3MBTL1SLC6A7
SCHEMBL31014265 0.69 SORD (0.51) SORDKDM4ELMNAL3MBTL1SLC6A7
SCHEMBL2320496 0.69 SORD (0.51) SORDKDM4ELMNAL3MBTL1SLC6A7
SCHEMBL18278246 0.68 FAAH (0.32) HSP90AA1SORDCYP17A1CYP1A2
SCHEMBL28120797 0.68 HSP90AA1 (0.40) HSP90AA1SORDMAOBBAZ2BADORA3
SCHEMBL11825277 0.67 KDM4E (0.43) HSP90AA1SORDKDM4ELMNAL3MBTL1
SCHEMBL12470705 0.67 LOXL2 (0.47) LMNABAZ2BTSHRCYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US 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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C HSP90AA1 841/4885SORD 233/4885KDM4E 3445/4885

“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.