SCHEMBL21099374

SCHEMBL21099374

CN1C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2c2c1cnc1c(F)c(Br)c(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.50
HDAC6 Q9UBN7 2/20 0.38
GPR119 Q8TDV5 13/20 0.37
SCN9A Q15858 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 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
SCHEMBL21099287 0.93 KRAS (0.55) KRASHDAC6GPR119SCN9AHDAC8
SCHEMBL21099261 0.92 KRAS (0.49) KRASHDAC6GPR119SCN9AHDAC8
SCHEMBL21050972 0.88 KRAS (0.54) KRAS
SCHEMBL21099382 0.86 KRAS (0.43) KRASHDAC6GPR119HDAC8SMARCA2
SCHEMBL30177970 0.85 KRAS (0.51) KRASHDAC6GPR119SCN9AHDAC8
SCHEMBL21099225 0.84 KRAS (0.68) KRASHDAC6GPR119SCN9AHDAC8
SCHEMBL21099296 0.83 KRAS (0.40) KRASHDAC6GPR119HDAC8
SCHEMBL21099357 0.80 GPR119 (0.38) KRASHDAC6GPR119HDAC8
SCHEMBL21050701 0.80 KRAS (0.60) KRAS
SCHEMBL21100020 0.80 KRAS (0.44) KRASHDAC6GPR119SCN9AHDAC8

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 272/4885HDAC6 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.