SCHEMBL5364175

SCHEMBL5364175

O=C(O)c1ccc2c(c1)nc(NCCc1ccncc1)c1n[nH]c(=O)n12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.62
CSNK2A1 P68400 11/20 0.51
CSNK2A2 P19784 9/20 0.51
CSNK2B P67870 5/20 0.51
GSK3B P49841 3/20 0.44
BRD4 O60885 2/20 0.43
ADORA3 P0DMS8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GSK3A P49840 2/20 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
SCHEMBL5357085 0.90 ADORA1 (0.56) ADORA1CSNK2A1CSNK2A2CSNK2BGSK3B
SCHEMBL5408086 0.83 ADORA1 (0.85) ADORA1GSK3BADORA3GSK3A
SCHEMBL5351179 0.77 ADORA1 (0.45) ADORA1CSNK2A1BRD4
SCHEMBL5429671 0.72 ADORA1 (0.77) ADORA1GSK3BADORA3
SCHEMBL5362434 0.72 ADORA1 (0.77) ADORA1BRD4ADORA3
SCHEMBL5355732 0.72 BRD4 (0.52) BRD4
SCHEMBL5370881 0.69 BRD4 (0.42) ADORA1BRD4
SCHEMBL5356781 0.68 ADORA1 (0.45) ADORA1CSNK2A1CSNK2A2CSNK2B
SCHEMBL4972494 0.68 CSNK2A1 (1.00) CSNK2A1CSNK2A2CSNK2BHDAC6
SCHEMBL10134704 0.68 CSNK2A1 (0.92) CSNK2A1CSNK2A2CSNK2B

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 ADORA1 12/4885CSNK2A1 845/4885CSNK2A2 944/4885

“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.