SCHEMBL5354444

SCHEMBL5354444

CCOC(=O)CNc1nc2ccc(F)cc2n2c(=O)[nH]nc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
ADORA1 P30542 2/20 0.45
BRD4 O60885 6/20 0.43
HRH4 Q9H3N8 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
ELANE P08246 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5359569 0.81 ADORA1 (0.53) ADORA1BRD4
SCHEMBL5363335 0.80 ADORA1 (0.51) ADORA1BRD4
SCHEMBL5357419 0.79 ADORA1 (0.44) ADORA1BRD4
SCHEMBL5357503 0.78 ADORA1 (0.54) ADORA1BRD4
SCHEMBL5362701 0.77 ADORA1 (0.75) ALDH1A1ADORA1BRD4HPGD
SCHEMBL5353863 0.77 ADORA1 (0.56) ALDH1A1ADORA1SMN1; SMN2
SCHEMBL5357433 0.75 ADORA1 (0.53) ADORA1BRD4
SCHEMBL5362434 0.75 ADORA1 (0.77) ADORA1BRD4SMN1; SMN2
SCHEMBL5356548 0.74 ADORA1 (0.47) ADORA1BRD4
SCHEMBL5361972 0.73 ADORA1 (0.53) ADORA1BRD4

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 ALDH1A1 121/4885ADORA1 12/4885BRD4 784/4885

“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.