SCHEMBL26196840

SCHEMBL26196840

CCc1nccn1CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 2/20 0.48
PLAA Q9Y263 1/20 0.48
ALPL P05186 1/20 0.47
TLR8 Q9NR97 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 4/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL31713029 0.87 TLR8 (0.50) ALPGPLAAALPLTLR8ALDH1A1
SCHEMBL11295344 0.85 KCNH2 (0.42) ALPGPLAAALPLTLR8ALDH1A1
SCHEMBL17865370 0.83 KCNH2 (0.41) ALPGPLAAALPLTLR8ALDH1A1
SCHEMBL11618141 0.83
SCHEMBL4233920 0.83 TLR8 (0.48) ALPGPLAAALPLTLR8ALDH1A1
SCHEMBL31590567 0.82 ALDH1A1 (0.47) ALPGPLAAALPLTLR8ALDH1A1
SCHEMBL20425451 0.82 KCNH2 (0.42) ALPGPLAAALPLKCNH2FPR2
Bromide SCHEMBL28149514 0.82 TLR8 (0.47) ALPGPLAAALPLTLR8ALDH1A1
SCHEMBL23053790 0.80 KCNH2 (0.33) ALPGPLAAALPLTLR8ALDH1A1
SCHEMBL687272 0.80 TLR8 (0.42) ALPGPLAAALPLTLR8ALDH1A1

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-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS ALPG 3968/4885PLAA 1874/4885ALPL 4241/4885

“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.