SCHEMBL21050709

SCHEMBL21050709

C[C@@H]1CN(c2c([N+](=O)[O-])cnc3c(F)c(Br)c(Cl)cc23)[C@@H](CO)CN1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL21050695 0.91 MAPT (0.33) ALDH1A1MAPT
SCHEMBL21050922 0.91 KRAS (0.32) KRAS
SCHEMBL21099334 0.90 GPR119 (0.36) KRASALDH1A1MAPT
SCHEMBL21050817 0.88 MAPT (0.33) KRASMAPT
SCHEMBL21050877 0.84 KRAS (0.33) KRAS
SCHEMBL21050733 0.84 KRAS (0.33) KRAS
SCHEMBL21052498 0.84 KRAS (0.34) KRASALDH1A1MAPT
SCHEMBL21050831 0.84 KRAS (0.34) KRASALDH1A1MAPT
SCHEMBL21050833 0.84 KRAS (0.34) KRASALDH1A1MAPT
SCHEMBL21099286 0.81 GPR119 (0.37) ALDH1A1MAPT

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 272/4885ALDH1A1 26/4885MAPT 2445/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885ALDH1A1 26/4885MAPT 2445/4885

“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.