SCHEMBL34461744

SCHEMBL34461744

Cc1nnc2n(CC(=O)O)c3ccn(-c4ccccc4[N+](=O)[O-])c3c(=O)n12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ GRIK1 P39086 4/20 0.37
▸ GRIK2 Q13002 4/20 0.37
▸ GRIK3 Q13003 4/20 0.37
▸ GRIK5 Q16478 4/20 0.37
▸ GRIA1 P42261 3/20 0.37
▸ GRIA2 P42262 3/20 0.37
▸ GRIA3 P42263 3/20 0.37
▸ GRIA4 P48058 3/20 0.37
▸ GRIK4 Q16099 3/20 0.37
▸ ADORA2A P29274 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL34461734 0.87 ALDH1A1 (0.36) ALDH1A1ADORA2AHTTLMNACYP1A2
SCHEMBL34461733 0.87 ADORA2A (0.38) ALDH1A1ADORA2AHTTLMNACYP1A2
SCHEMBL34461722 0.83 TRPA1 (0.43) ALDH1A1HTTCYP1A2CYP3A4CYP2C19
SCHEMBL34461729 0.83 ALDH1A1 (0.35) ALDH1A1ADORA2ALMNA
SCHEMBL34461724 0.82 GRIK1 (0.39) ALDH1A1GRIK1GRIK2GRIK3GRIK5
SCHEMBL34461758 0.70 TRPA1 (0.45) LMNA
SCHEMBL34461790 0.70 HCAR1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL34461772 0.69 CYP1A2 (0.35) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL34461745 0.67 ADORA2A (0.41) ALDH1A1GRIK1GRIK2GRIK3GRIK5
SCHEMBL260928 0.63 APEX1 (0.57) GRIK1GRIK2GRIK3GRIK5GRIA1

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-20260098041-A1 FUSED BICYCLIC PYRIMIDONES AS WRN INHIBITORS INCYTE CORPORATION (US) 2026-04-09 — — 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-20260098041-A1 FUSED BICYCLIC PYRIMIDONES AS WRN INHIBITORS WRN, POLR1A, REV1 ALDH1A1 1354/4885GRIK1 2336/4885GRIK2 4306/4885

“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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