SCHEMBL21050985

SCHEMBL21050985

Nc1cnc2cc(Br)c(Cl)cc2c1N1CCN(C(=O)O)C[C@@H]1CCl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 9/20 0.33
KRAS P01116 9/20 0.32
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL21050918 0.87 ABL1 (0.36) KRAS
SCHEMBL21099211 0.86 SMARCA2 (0.37)
SCHEMBL21050676 0.79 ABL1 (0.36) KRAS
SCHEMBL21050677 0.79 ABL1 (0.36) KRAS
SCHEMBL21050764 0.79 ABL1 (0.36) KRAS
SCHEMBL21136721 0.77
SCHEMBL21050944 0.76 ABL1 (0.36) KRAS
SCHEMBL21050699 0.75 KRAS (0.54) KRASNFE2L2
SCHEMBL21050715 0.75 KRAS (0.54) KRASNFE2L2
SCHEMBL21050984 0.74 KRAS (0.55) 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 MDM2 2428/4885KRAS 272/4885NFE2L2 415/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 MDM2 2428/4885KRAS 272/4885NFE2L2 415/4885

“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.