SCHEMBL29886664

SCHEMBL29886664

Nc1ncc(-c2cccnc2)nc1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.71
CYP3A4 P08684 1/20 0.58
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
PTK2 Q05397 1/20 0.53
CYP19A1 P11511 1/20 0.51
CYP2A6 P11509 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
SCHEMBL32688927 0.86 ATR (0.66) ATR
SCHEMBL6701248 0.86 ATR (0.66) ATR
SCHEMBL29886432 0.85 ATR (0.57) ATR
SCHEMBL29886145 0.85 ATR (0.57) ATR
SCHEMBL30785740 0.85 CYP19A1 (0.56) ATRCYP3A4HSP90AA1HSP90AB1PTK2
SCHEMBL25735645 0.85 CYP19A1 (0.56) ATRCYP3A4HSP90AA1HSP90AB1PTK2
SCHEMBL13137954 0.83 ATR (1.00) ATR
SCHEMBL2485335 0.83 ATR (0.67) ATRCYP3A4
SCHEMBL2503969 0.82 ATR (1.00) ATR
SCHEMBL2486385 0.81 ATR (0.70) ATRCYP3A4

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 2600/4885CYP3A4 4128/4885HSP90AA1 3542/4885

“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.