SCHEMBL21099405

SCHEMBL21099405

CCN1C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2c2c1cnc1cc(Br)c(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KRAS P01116 4/20 0.42
GPR119 Q8TDV5 11/20 0.37
HDAC6 Q9UBN7 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
DTYMK P23919 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
BRD4 O60885 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 0.90 KRAS (0.52) KRASGPR119HDAC6HDAC8DTYMK
SCHEMBL21050904 0.89 KRAS (0.45) KRAS
SCHEMBL21099262 0.83 KRAS (0.66) KRASHDAC6
SCHEMBL21099612 0.82 KRAS (0.50) KRASGPR119HDAC6HDAC8IDO1
SCHEMBL21099649 0.82 KRAS (0.51) KRASGPR119HDAC6HDAC8IDO1
SCHEMBL21050807 0.82 KRAS (0.51) KRASGPR119HDAC6HDAC8IDO1
SCHEMBL21099294 0.81 GPR119 (0.37) KRASGPR119HDAC6HDAC8IDO1
SCHEMBL21832082 0.77 KRAS (0.56) KRAS
SCHEMBL21099383 0.77 KRAS (0.42) KRASGPR119HDAC6HDAC8
SCHEMBL21050917 0.77 SMARCA2 (0.38) GPR119HDAC6HDAC8IDO1TDO2

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
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

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 272/4885GPR119 945/4885HDAC6 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.