SCHEMBL5359423

SCHEMBL5359423

CC(C)Nc1nc2ccc(CN3CCOCC3)cc2n2c(=O)[nH]nc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.46
CHEK1 O14757 1/20 0.45
PDE2A O00408 11/20 0.44
PDE6D O43924 1/20 0.44
PDE6A P16499 1/20 0.44
PDE6G P18545 1/20 0.44
PDE6B P35913 1/20 0.44
PDE6C P51160 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE7A Q13946 1/20 0.44
PDE6H Q13956 1/20 0.44
PDE3A Q14432 1/20 0.44
PDE10A Q9Y233 1/20 0.44
ADORA1 P30542 2/20 0.41
PARP1 P09874 1/20 0.39
ILK Q13418 1/20 0.39

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
SCHEMBL5359474 0.93 SYK (0.46) SYKCHEK1PDE2APDE6DPDE6A
SCHEMBL5355066 0.83 ADORA1 (0.48) SYKCHEK1ADORA1
SCHEMBL5350666 0.83 CHEK1 (0.43) SYKCHEK1PDE2APDE10AADORA1
SCHEMBL5351538 0.76 ADORA1 (0.44) SYKPDE2AADORA1
SCHEMBL5354972 0.75 ADORA1 (0.42) CHEK1PDE2AADORA1
SCHEMBL5359370 0.72 ACSS2 (0.45) PDE2AADORA1
SCHEMBL5352149 0.72 PDE2A (0.43) SYKPDE2APDE6DPDE6APDE6G
SCHEMBL5368068 0.71 ADORA1 (0.40) ADORA1
SCHEMBL545958 0.71 PDE2A (0.43) CHEK1PDE2APDE6DPDE6APDE6G
SCHEMBL5355114 0.69 ALDH1A1 (0.42) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US disclosed
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. 2004-09-30 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-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines CYP4B1, CYP3A4, CYP1B1 SYK 2389/4885CHEK1 1345/4885PDE2A 342/4885

“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.