SCHEMBL5355114

SCHEMBL5355114

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ BRD4 O60885 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NAMPT P43490 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ACSS2 Q9NR19 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL5350960 0.94 ACSS2 (0.44) ALDH1A1BRD4GAAADORA1KDM4E
SCHEMBL5359370 0.87 ACSS2 (0.45) BRD4GAAADORA1ACSS2
SCHEMBL5359257 0.83 ADORA1 (0.41) ALDH1A1BRD4ADORA1KDM4EACSS2
SCHEMBL5350987 0.83 LMNA (0.51) ALDH1A1BRD4GAAPOLB
SCHEMBL5351538 0.82 ADORA1 (0.44) ADORA1
SCHEMBL5368068 0.81 ADORA1 (0.40) ADORA1ACSS2
SCHEMBL5355195 0.79 BRD4 (0.43) BRD4ADORA1TDP1
SCHEMBL5355066 0.78 ADORA1 (0.48) ADORA1
SCHEMBL5358536 0.77 CRBN (0.44) BRD4ADORA1
SCHEMBL5730932 0.76 ADORA1 (0.45) 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 4 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
EP-1613629-A1 SUBSTITUTED 4-AMINO 1,2,4 TRIAZOLO 4,3-A QUINOXALINES Pfizer Products Inc. (US) 2006-01-11 — — EP disclosed
WO-2004085439-A1 SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES PFIZER PRODUCTS INC. (US) 2004-10-07 — — WO 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 ALDH1A1 121/4885BRD4 784/4885GAA 1300/4885

“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.

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