SCHEMBL21099402

SCHEMBL21099402

Cc1ccc2c(c1-c1c(Cl)cc3c4c(cnc3c1F)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN41)C(=O)NC2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 13/20 0.53
SCN9A Q15858 1/20 0.35
TNF P01375 2/20 0.34
LITAF Q99732 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33
SOS1 Q07889 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
SCHEMBL21050964 0.91 KRAS (0.57) KRAS
SCHEMBL21050691 0.89 KRAS (0.68) KRAS
SCHEMBL21099592 0.86 KRAS (0.58) KRASSCN9ATNFLITAFGPR119
SCHEMBL21099306 0.86 KRAS (0.55) KRASSCN9ATNFLITAF
SCHEMBL21099626 0.83 KRAS (0.52) KRASSCN9AGPR119HDAC6
SCHEMBL21050668 0.82 KRAS (0.46) KRAS
SCHEMBL21099613 0.82 KRAS (0.46) KRAS
SCHEMBL21099583 0.82 KRAS (0.63) KRASTNFLITAF
SCHEMBL21100031 0.80 KRAS (0.54) KRASSCN9ATNFLITAFGPR119
SCHEMBL21563171 0.78 KRAS (0.52) KRASSCN9AGPR119

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 KRAS 272/4885SCN9A 3615/4885TNF 2176/4885

“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.