SCHEMBL21050758

SCHEMBL21050758

CN1C(=O)C2CN(C(=O)OC(C)(C)C)CCN2c2c1cnc1cc(-c3c(O)cccc3F)c(Cl)cc21

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 17/20 0.78
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
SCN9A Q15858 1/20 0.36

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
SCHEMBL21099262 0.92 KRAS (0.66) KRASSMARCA2SMARCA4PBRM1HDAC6
SCHEMBL21099390 0.89 KRAS (0.61) KRASSMARCA2SMARCA4PBRM1HDAC6
SCHEMBL21099388 0.88 KRAS (0.60) KRASSMARCA2SMARCA4PBRM1HDAC6
SCHEMBL21050693 0.88 KRAS (1.00) KRAS
SCHEMBL21050678 0.88 KRAS (1.00) KRAS
SCHEMBL21136668 0.88 KRAS (1.00) KRAS
SCHEMBL21099333 0.87 KRAS (0.78) KRASSMARCA2SMARCA4PBRM1HDAC6
SCHEMBL21099392 0.85 KRAS (0.65) KRASSMARCA2SMARCA4PBRM1HDAC6
SCHEMBL21099629 0.84 KRAS (0.71) KRASSMARCA2SMARCA4PBRM1HDAC6
SCHEMBL21050914 0.82 KRAS (0.52) KRASSMARCA2SMARCA4PBRM1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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 (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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 KRAS 272/4885SMARCA2 2068/4885SMARCA4 1478/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885SMARCA2 2068/4885SMARCA4 1478/4885

“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.