SCHEMBL21099592

SCHEMBL21099592

Cc1ccc(N)c(O)c1-c1c(Cl)cc2c3c(cnc2c1F)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN31

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KRAS P01116 12/20 0.58
TNF P01375 2/20 0.36
LITAF Q99732 2/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
SCN9A Q15858 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
SOS1 Q07889 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL21050974 0.90 KRAS (0.62) KRAS
SCHEMBL21099626 0.88 KRAS (0.52) KRASSCN9AHDAC6GPR119
SCHEMBL21099306 0.86 KRAS (0.55) KRASTNFLITAFSCN9A
SCHEMBL21099402 0.86 KRAS (0.53) KRASTNFLITAFSCN9AHDAC6
SCHEMBL21099583 0.84 KRAS (0.63) KRASTNFLITAF
SCHEMBL21100031 0.83 KRAS (0.54) KRASTNFLITAFSCN9AHDAC6
SCHEMBL21099623 0.82 KRAS (0.49) KRASTNFLITAFSCN9AHDAC6
SCHEMBL21099210 0.80 KRAS (0.65) KRASTNFLITAFSCN9ASOS1
SCHEMBL21099215 0.79 KRAS (0.54) KRASTNFLITAFHDAC6GPR119
SCHEMBL21136910 0.79 ALK (0.40) TNFLITAFSMARCA2SMARCA4PBRM1

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 272/4885TNF 2176/4885LITAF 995/4885

“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.