SCHEMBL5355902

SCHEMBL5355902

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

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.45
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
CHEK1 O14757 1/20 0.41
HIF1A Q16665 1/20 0.40

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
SCHEMBL5355821 0.87 ADORA1 (0.46) ADORA1LMNASMN1; SMN2HIF1A
SCHEMBL5730932 0.86 ADORA1 (0.45) ADORA1LMNASMN1; SMN2HIF1A
SCHEMBL5355066 0.84 ADORA1 (0.48) ADORA1LMNASMN1; SMN2CHEK1HIF1A
SCHEMBL5356781 0.83 ADORA1 (0.45) ADORA1LMNASMN1; SMN2HIF1A
SCHEMBL5354958 0.83 ADORA1 (0.64) ADORA1LMNASMN1; SMN2HIF1A
SCHEMBL5359257 0.81 ADORA1 (0.41) ADORA1SMN1; SMN2
SCHEMBL5368068 0.80 ADORA1 (0.40) ADORA1LMNASMN1; SMN2HIF1A
SCHEMBL5359370 0.79 ACSS2 (0.45) ADORA1
SCHEMBL5351538 0.76 ADORA1 (0.44) ADORA1LMNASMN1; SMN2HIF1A
SCHEMBL5350960 0.76 ACSS2 (0.44) ADORA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613629-A1 SUBSTITUTED 4-AMINO 1,2,4 TRIAZOLO 4,3-A QUINOXALINES Pfizer Products Inc. (US) 2006-01-11 EP claimed
WO-2004085439-A1 SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES PFIZER PRODUCTS INC. (US) 2004-10-07 WO claimed
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. 2004-09-30 US claimed
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 ADORA1 12/4885LMNA 3553/4885SMN1; SMN2 4136/4885

“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.