SCHEMBL5351179

SCHEMBL5351179

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.45
▸ BRD4 O60885 3/20 0.43
▸ HCAR3 P49019 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ FGB P02675 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL5356781 0.91 ADORA1 (0.45) ADORA1SMN1; SMN2LMNAHIF1ACSNK2A1
SCHEMBL5358536 0.89 CRBN (0.44) ADORA1BRD4
SCHEMBL5355200 0.85 ADORA1 (0.38) ADORA1BRD4SMN1; SMN2LMNAHIF1A
SCHEMBL5355195 0.85 BRD4 (0.43) ADORA1BRD4HPGDLMNAKMT2A
SCHEMBL5350993 0.81 TNKS (0.42) ADORA1BRD4LMNA
SCHEMBL5359257 0.81 ADORA1 (0.41) ADORA1BRD4SMN1; SMN2HPGDHSD17B10
SCHEMBL5368068 0.80 ADORA1 (0.40) ADORA1SMN1; SMN2LMNAHIF1A
SCHEMBL5359370 0.78 ACSS2 (0.45) ADORA1BRD4HPGDHSD17B10MEN1
SCHEMBL5358047 0.77 BRD4 (0.48) BRD4HCAR3SMN1; SMN2HPGDHCAR2
SCHEMBL5355821 0.77 ADORA1 (0.46) ADORA1SMN1; SMN2LMNAHIF1AKMT2A

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 12/4885BRD4 784/4885HCAR3 482/4885

“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.

Send feedback