SCHEMBL21099649

SCHEMBL21099649

CC(C)(C)OC(=O)N1CCN2c3c(cnc4cc(Br)c(Cl)cc34)NC(=O)[C@H]2C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 3/20 0.51
HDAC6 Q9UBN7 2/20 0.35
GPR119 Q8TDV5 9/20 0.34
HDAC8 Q9BY41 1/20 0.34
DDB1 Q16531 3/20 0.34
CRBN Q96SW2 3/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
NFE2L2 Q16236 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
SCHEMBL21050807 1.00 KRAS (0.51) KRASHDAC6GPR119HDAC8DDB1
SCHEMBL21099309 0.87 KRAS (0.41) KRASHDAC6GPR119HDAC8DDB1
SCHEMBL21050959 0.87 KRAS (0.55) KRASNFE2L2
SCHEMBL21099631 0.85 KRAS (0.43) KRASHDAC6GPR119HDAC8DDB1
SCHEMBL21099365 0.84 KRAS (0.49) KRASHDAC6GPR119HDAC8IDO1
SCHEMBL21099204 0.84 KRAS (0.46) KRASHDAC6GPR119HDAC8DDB1
SCHEMBL21050914 0.83 KRAS (0.52) KRASHDAC6GPR119HDAC8IDO1
SCHEMBL21099294 0.82 GPR119 (0.37) KRASHDAC6GPR119HDAC8IDO1
SCHEMBL21099405 0.82 KRAS (0.42) KRASHDAC6GPR119HDAC8IDO1
SCHEMBL21099401 0.82 KRAS (0.43) KRASHDAC6GPR119HDAC8DDB1

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-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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

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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 KRAS 272/4885HDAC6 1708/4885GPR119 945/4885

“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.