SCHEMBL5350666

SCHEMBL5350666

CC(C)Nc1nc2cc(CN3CCN(C)CC3)ccc2n2c(=O)[nH]nc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.43
ADORA1 P30542 2/20 0.43
CHKA P35790 2/20 0.39
HTR6 P50406 2/20 0.38
SYK P43405 4/20 0.38
PARP1 P09874 2/20 0.38
GRM2 Q14416 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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 0.90 SYK (0.46) CHEK1ADORA1SYKPARP1GRM2
SCHEMBL5359423 0.83 SYK (0.46) CHEK1ADORA1SYKPARP1PDE2A
SCHEMBL5362996 0.80 PDE2A (0.41) CHKAPDE2APDE10A
SCHEMBL5355066 0.76 ADORA1 (0.48) CHEK1ADORA1SYK
SCHEMBL5351179 0.75 ADORA1 (0.45) ADORA1
SCHEMBL5358536 0.73 CRBN (0.44) CHEK1ADORA1
SCHEMBL5355195 0.72 BRD4 (0.43) ADORA1
SCHEMBL5355200 0.70 ADORA1 (0.38) ADORA1
SCHEMBL5351538 0.69 ADORA1 (0.44) ADORA1SYKPDE2A
SCHEMBL5350993 0.69 TNKS (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 CHEK1 1345/4885ADORA1 12/4885CHKA 2509/4885

“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.