SCHEMBL7094446

SCHEMBL7094446

CCOc1cc2ncnc(Nc3cccc(-c4csc(C(N)=O)n4)c3)c2cc1OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.77
▸ FBP1 P09467 4/20 0.56

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
Hydrochloric Acid SCHEMBL7089169 0.99 EGFR (0.76) EGFRFBP1
SCHEMBL7092567 0.97 EGFR (0.72) EGFRFBP1
SCHEMBL7090058 0.94 EGFR (0.69) EGFRFBP1
SCHEMBL7089292 0.93 EGFR (0.67) EGFRFBP1
SCHEMBL7093305 0.87 EGFR (1.00) EGFRFBP1
SCHEMBL7088581 0.86 EGFR (0.81) EGFRFBP1
SCHEMBL7093775 0.86 EGFR (0.58) EGFR
SCHEMBL7089342 0.86 EGFR (0.64) EGFRFBP1
SCHEMBL4315736 0.85 EGFR (0.79) EGFRFBP1
SCHEMBL6234224 0.85 EGFR (1.00) EGFRFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors BAUER PAUL H (US) 2003-07-31 — — US claimed

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-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors FBP1, HK1, G6PC1 EGFR 2906/4885FBP1 1/4885

“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