SCHEMBL34461729

SCHEMBL34461729

Cc1nnc2n(CCOCc3ccccc3)c3ccn(-c4ccccc4[N+](=O)[O-])c3c(=O)n12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADORA2A P29274 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ F2RL3 Q96RI0 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ EGFR P00533 2/20 0.32
▸ ERBB2 P04626 2/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL34461733 0.86 ADORA2A (0.38) ALDH1A1ADORA2ALMNAMAPK1
SCHEMBL34461760 0.84 GRIA1 (0.32) ALDH1A1KMT2AF2RL3MAOAMAOB
SCHEMBL34461744 0.83 ALDH1A1 (0.37) ALDH1A1ADORA2ALMNA
SCHEMBL34461734 0.82 ALDH1A1 (0.36) ALDH1A1KMT2AADORA2ALMNA
SCHEMBL34461722 0.73 TRPA1 (0.43) ALDH1A1KMT2A
SCHEMBL34461757 0.71 ADORA2A (0.62) ALDH1A1ADORA2AMAOAMAOBMCL1
SCHEMBL34461749 0.70 ADORA2A (0.41) ALDH1A1KMT2AADORA2AEGFRADORA3
SCHEMBL34461772 0.68 CYP1A2 (0.35) ALDH1A1KMT2A
SCHEMBL34461724 0.66 GRIK1 (0.39) ALDH1A1KMT2AMAPK1
SCHEMBL34461790 0.66 HCAR1 (0.33) ALDH1A1KMT2A

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 1354/4885KMT2A 3313/4885ADORA2A 586/4885

“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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