SCHEMBL21099310

SCHEMBL21099310

COc1cccc(C)c1-c1c(Cl)cc2c3c(cnc2c1F)N(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN31

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KRAS P01116 6/20 0.60
TNF P01375 4/20 0.41
LITAF Q99732 4/20 0.41
HDAC6 Q9UBN7 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
TP53 P04637 1/20 0.35
ALK Q9UM73 3/20 0.34
MAPT P10636 1/20 0.34
ROCK2 O75116 1/20 0.34
SCN9A Q15858 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
SCHEMBL21050967 1.00 KRAS (0.60) KRASTNFLITAFHDAC6GPR119
SCHEMBL21099218 0.91 KRAS (0.59) KRASTNFLITAFHDAC6GPR119
SCHEMBL21050827 0.91 KRAS (0.64) KRAS
SCHEMBL21099311 0.89 KRAS (0.57) KRASTNFLITAFHDAC6GPR119
SCHEMBL21099333 0.88 KRAS (0.78) KRASTNFLITAFHDAC6GPR119
SCHEMBL21099629 0.88 KRAS (0.71) KRASTNFLITAFHDAC6GPR119
SCHEMBL21137332 0.87 KRAS (0.55) KRASTNFLITAFHDAC6MAPT
SCHEMBL21100008 0.86 KRAS (0.65) KRASTNFLITAFHDAC6GPR119
SCHEMBL21099304 0.85 KRAS (0.55) KRAS
SCHEMBL21099287 0.83 KRAS (0.55) KRASTNFLITAFHDAC6GPR119

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 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.