SCHEMBL21099359

SCHEMBL21099359

CC(C)(C)OC(=O)N1CCN2c3c(nnc4cc(Br)c(Cl)cc34)OC[C@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
KRAS P01116 6/20 0.36
HDAC8 Q9BY41 1/20 0.35
USP30 Q70CQ3 2/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
MAPK8 P45983 1/20 0.33
CNR1 P21554 1/20 0.32
FPR2 P25090 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL21050790 0.86 KRAS (0.39) KRAS
SCHEMBL21136846 0.85 KRAS (0.51) HDAC6KRASHDAC8USP30GPR119
SCHEMBL21099582 0.85 KRAS (0.51) HDAC6KRASHDAC8USP30GPR119
SCHEMBL21099999 0.85 KRAS (0.51) HDAC6KRASHDAC8USP30GPR119
SCHEMBL21099608 0.82 KRAS (0.59) HDAC6KRASSMARCA2SMARCA4PBRM1
SCHEMBL21099612 0.78 KRAS (0.50) HDAC6KRASHDAC8SMARCA2SMARCA4
SCHEMBL21099365 0.77 KRAS (0.49) HDAC6KRASHDAC8GPR119IDO1
SCHEMBL23512857 0.76 USP30 (0.39) HDAC6KRASUSP30SMARCA2SMARCA4
SCHEMBL23512534 0.76 USP30 (0.39) HDAC6KRASUSP30SMARCA2SMARCA4
SCHEMBL29693184 0.76 USP30 (0.39) HDAC6KRASUSP30SMARCA2SMARCA4

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 HDAC6 1708/4885KRAS 272/4885HDAC8 2282/4885

“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.