SCHEMBL34461733

SCHEMBL34461733

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ LMNA P02545 3/20 0.35
▸ THRB P10828 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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 0.88 ALDH1A1 (0.36) ADORA2AALDH1A1LMNAHCAR1MAPT
SCHEMBL34461744 0.87 ALDH1A1 (0.37) ADORA2AALDH1A1LMNAHTTCYP1A2
SCHEMBL34461729 0.86 ALDH1A1 (0.35) ADORA2AALDH1A1LMNAMAPK1
SCHEMBL34461772 0.81 CYP1A2 (0.35) ALDH1A1TSHRHCAR1MAPTATM
SCHEMBL34461722 0.79 TRPA1 (0.43) ALDH1A1THRBMAPTHTTPOLB
SCHEMBL34461790 0.71 HCAR1 (0.33) ALDH1A1HCAR1CYP1A2CYP3A4CYP2C9
SCHEMBL34461724 0.69 GRIK1 (0.39) ALDH1A1MAPK1HCAR1POLB
SCHEMBL34461760 0.68 GRIA1 (0.32) ALDH1A1HCAR1
SCHEMBL34461705 0.67 ADORA2A (0.46) ADORA2AALDH1A1MAPTHTTATM
SCHEMBL31213128 0.62 ALDH1A1 (0.61) ALDH1A1LMNAHCAR1MAPTHTT

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 ADORA2A 586/4885ALDH1A1 1354/4885LMNA 1074/4885

“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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