SCHEMBL29886432

SCHEMBL29886432

Nc1ncc(-c2ccncc2)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 15/20 0.57
ADORA2A P29274 2/20 0.54
ADORA1 P30542 2/20 0.54
PRKDC P78527 1/20 0.53
MAPK1 P28482 1/20 0.49

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
SCHEMBL29886145 1.00 ATR (0.57) ATRADORA2AADORA1PRKDCMAPK1
SCHEMBL32688927 0.91 ATR (0.66) ATRPRKDC
SCHEMBL6701248 0.91 ATR (0.66) ATRPRKDC
SCHEMBL29886664 0.85 ATR (0.71) ATR
SCHEMBL13137948 0.83 ATR (0.87) ATR
SCHEMBL6701889 0.82 ADORA1 (0.56) ATRADORA2AADORA1PRKDC
SCHEMBL12198431 0.82 ATR (0.56) ATRADORA2AADORA1PRKDC
SCHEMBL934795 0.82 ADORA1 (0.56) ATRADORA2AADORA1PRKDC
SCHEMBL6696565 0.78 ATR (0.57) ATRADORA2AADORA1PRKDC
SCHEMBL6697532 0.78 ATR (0.57) ATRADORA2AADORA1PRKDC

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 2 patents. 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
US-20220259574-A1 ATP-INDEPENDENT BIOLUMINESCENT REPORTER VARIANTS TO IMPROVE IN VIVO IMAGING UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2022-08-18 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 2600/4885ADORA2A 725/4885ADORA1 629/4885

“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.