SCHEMBL21050867

SCHEMBL21050867

CN(C)CCN1C[C@H]2CN(C(=O)O)CCN2c2c1cnc1cc(-c3c(O)cccc3O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 11/20 0.46
BCL2A1 Q16548 1/20 0.33
MELK Q14680 7/20 0.32
SIGMAR1 Q99720 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
SCHEMBL21050719 0.84 KRAS (0.68) KRAS
SCHEMBL21050747 0.79 KRAS (0.43) KRASMELKSIGMAR1
SCHEMBL21050855 0.77 KRAS (0.80) KRAS
SCHEMBL21099329 0.75 KRAS (0.63) KRAS
SCHEMBL21050925 0.73 KRAS (0.58) KRAS
SCHEMBL21050910 0.70 KRAS (0.56) KRAS
SCHEMBL21099209 0.69 KRAS (0.40) KRAS
SCHEMBL21050699 0.64 KRAS (0.54) KRAS
SCHEMBL21050646 0.63 KRAS (1.00) KRAS
SCHEMBL21050931 0.63 KRAS (0.68) KRAS

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-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US 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 (2 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 272/4885BCL2A1 808/4885MELK 1962/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885BCL2A1 808/4885MELK 1962/4885

“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.