SCHEMBL21050889

SCHEMBL21050889

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KRAS P01116 12/20 0.51
HDAC6 Q9UBN7 2/20 0.36
USP30 Q70CQ3 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
POLB P06746 1/20 0.35
TNF P01375 2/20 0.34
LITAF Q99732 2/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 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
SCHEMBL21099999 0.90 KRAS (0.51) KRASHDAC6USP30GPR119HDAC8
SCHEMBL21099582 0.90 KRAS (0.51) KRASHDAC6USP30GPR119HDAC8
SCHEMBL21136846 0.90 KRAS (0.51) KRASHDAC6USP30GPR119HDAC8
SCHEMBL21099228 0.89 KRAS (0.49) KRASHDAC6USP30GPR119HDAC8
SCHEMBL21099389 0.85 KRAS (0.47) KRASHDAC6USP30GPR119HDAC8
SCHEMBL21099260 0.84 KRAS (0.46) KRASHDAC6USP30GPR119HDAC8
SCHEMBL21099259 0.83 KRAS (0.45) KRASHDAC6USP30GPR119TNF
SCHEMBL21099596 0.83 KRAS (0.76) KRAS
SCHEMBL21099215 0.81 KRAS (0.54) KRASHDAC6USP30GPR119HDAC8
SCHEMBL21100031 0.81 KRAS (0.54) KRASHDAC6USP30GPR119HDAC8

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
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
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 (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 272/4885HDAC6 1708/4885USP30 4266/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885HDAC6 1708/4885USP30 4266/4885

“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.