SCHEMBL21733813

SCHEMBL21733813

C=CC(=O)N1CCN(c2ncnc3c2CCC(c2c(C)ccc4cnn(C5CCCCO5)c24)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 14/20 0.48
EGFR P00533 2/20 0.33
BTK Q06187 2/20 0.33
JAK3 P52333 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33

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
SCHEMBL30834537 1.00 KRAS (0.48) KRASEGFRBTKJAK3AKT1
SCHEMBL21733673 0.88 KRAS (0.52) KRASEGFRBTKJAK3AKT1
SCHEMBL30834490 0.88 KRAS (0.52) KRASEGFRBTKJAK3AKT1
SCHEMBL21733779 0.86 KRAS (0.37) KRAS
SCHEMBL30834532 0.86 KRAS (0.37) KRAS
SCHEMBL21733818 0.84 KRAS (0.51) KRASEGFR
SCHEMBL30177842 0.79 KRAS (0.61) KRAS
SCHEMBL21722258 0.79 KRAS (0.61) KRAS
SCHEMBL21722284 0.78 KRAS (0.65) KRASEGFRBTKJAK3
SCHEMBL21733735 0.78 KRAS (0.55) KRASBTKAKT1AKT2AKT3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO 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 (2 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS KRAS 1/4885EGFR 437/4885BTK 2429/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885EGFR 437/4885BTK 2429/4885

“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.