SCHEMBL21099294

SCHEMBL21099294

CC(C)(C)OC(=O)N1CCN2c3c(cnc4cc(Br)c(Cl)cc34)N=C(O)C2C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.37
KRAS P01116 3/20 0.36
HDAC6 Q9UBN7 2/20 0.36
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
POLB P06746 1/20 0.33
PIK3CD O00329 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
SCHEMBL21050914 0.82 KRAS (0.52) GPR119KRASHDAC6SMARCA2SMARCA4
SCHEMBL21099649 0.82 KRAS (0.51) GPR119KRASHDAC6HDAC8IDO1
SCHEMBL21050807 0.82 KRAS (0.51) GPR119KRASHDAC6HDAC8IDO1
SCHEMBL21099405 0.81 KRAS (0.42) GPR119KRASHDAC6HDAC8IDO1
SCHEMBL21099612 0.79 KRAS (0.50) GPR119KRASHDAC6SMARCA2SMARCA4
SCHEMBL21050917 0.79 SMARCA2 (0.38) GPR119HDAC6SMARCA2SMARCA4PBRM1
SCHEMBL21099365 0.78 KRAS (0.49) GPR119KRASHDAC6HDAC8IDO1
SCHEMBL21099582 0.78 KRAS (0.51) GPR119KRASHDAC6HDAC8POLB
SCHEMBL21099211 0.78 SMARCA2 (0.37) GPR119SMARCA2SMARCA4PBRM1IDO1
SCHEMBL21136846 0.78 KRAS (0.51) GPR119KRASHDAC6HDAC8POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 GPR119 945/4885KRAS 272/4885HDAC6 1708/4885

“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.