SCHEMBL21733742

SCHEMBL21733742

C=CC(=O)N1CCN(c2ncnc3c2CCC(c2c(C)ccc4c2COC4)C3)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KRAS P01116 17/20 0.55
BTK Q06187 2/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
AKT3 Q9Y243 1/20 0.34

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
SCHEMBL30178092 1.00 KRAS (0.55) KRASBTKAKT1AKT2AKT3
SCHEMBL21722141 1.00 KRAS (0.55) KRASBTKAKT1AKT2AKT3
SCHEMBL30178056 1.00 KRAS (0.55) KRASBTKAKT1AKT2AKT3
SCHEMBL21733735 1.00 KRAS (0.55) KRASBTKAKT1AKT2AKT3
SCHEMBL30177830 1.00 KRAS (0.55) KRASBTKAKT1AKT2AKT3
SCHEMBL24855257 0.89 KRAS (0.48) KRAS
SCHEMBL21722258 0.83 KRAS (0.61) KRAS
SCHEMBL30177842 0.83 KRAS (0.61) KRAS
SCHEMBL21734011 0.83 KRAS (0.41) KRAS
SCHEMBL21722231 0.83 KRAS (0.41) KRAS

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 1/4885BTK 2429/4885AKT1 29/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885BTK 2429/4885AKT1 29/4885

“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.