SCHEMBL21050817

SCHEMBL21050817

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.32
KRAS P01116 2/20 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
SCHEMBL21050709 0.88 KRAS (0.31) MAPTKRAS
SCHEMBL21050943 0.85 MAPT (0.36) MAPTGAAKRAS
SCHEMBL30231199 0.81 GPR119 (0.34)
SCHEMBL21100003 0.81 GPR119 (0.34)
SCHEMBL21050659 0.81 KRAS (0.40) KRAS
SCHEMBL28681459 0.79 KCNH2 (0.38) MAPTKRAS
SCHEMBL21050695 0.79 MAPT (0.33) MAPT
SCHEMBL21050922 0.78 KRAS (0.32) KRAS
SCHEMBL21099334 0.78 GPR119 (0.36) MAPTKRAS
SCHEMBL21050772 0.77 KRAS (0.49) 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 MAPT 2445/4885GAA 238/4885KRAS 272/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 MAPT 2445/4885GAA 238/4885KRAS 272/4885

“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.