SCHEMBL32688927

SCHEMBL32688927

Nc1ncc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 16/20 0.66
TLR9 Q9NR96 1/20 0.50
PRKDC P78527 1/20 0.50

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
SCHEMBL6701248 1.00 ATR (0.66) ATRTLR9PRKDC
SCHEMBL29886432 0.91 ATR (0.57) ATRPRKDC
SCHEMBL29886145 0.91 ATR (0.57) ATRPRKDC
SCHEMBL6701889 0.90 ADORA1 (0.56) ATRPRKDC
SCHEMBL12198431 0.90 ATR (0.56) ATRPRKDC
SCHEMBL934795 0.90 ADORA1 (0.56) ATRPRKDC
SCHEMBL29886664 0.86 ATR (0.71) ATR
SCHEMBL6696565 0.86 ATR (0.57) ATRPRKDC
SCHEMBL6697532 0.86 ATR (0.57) ATRPRKDC
SCHEMBL5959065 0.85 NPC1 (0.54) ATR

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-20260077068-A1 ATP-INDEPENDENT BIOLUMINESCENT REPORTER VARIANTS TO IMPROVE IN VIVO IMAGING UNIV VIRGINIA PATENT FOUNDATION (US) 2026-03-19 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-20260077068-A1 ATP-INDEPENDENT BIOLUMINESCENT REPORTER VARIANTS TO IMPROVE IN VIVO IMAGING KCNN2, KCNN1, ATP1B2 ATR 2600/4885TLR9 4846/4885PRKDC 2050/4885

“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.