SCHEMBL21099295

SCHEMBL21099295

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1c1c([N+](=O)[O-])cnc2c(F)c(-c3c(F)cccc3OC)c(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KRAS P01116 7/20 0.37
TNF P01375 3/20 0.33
LITAF Q99732 3/20 0.33
NTRK1 P04629 1/20 0.33
MAP4K1 Q92918 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
MCL1 Q07820 3/20 0.32
GPR119 Q8TDV5 1/20 0.32
EGFR P00533 2/20 0.32
SRC P12931 1/20 0.32
DRD2 P14416 1/20 0.32
KDR P35968 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
SCHEMBL21099404 0.90 KRAS (0.41) KRASTNFLITAFCCNT1CDK9
SCHEMBL21050659 0.86 KRAS (0.40) KRASNTRK1MAP4K1EGFRSRC
SCHEMBL30231199 0.85 GPR119 (0.34) NTRK1NR1H2NR1H3MCL1GPR119
SCHEMBL21100003 0.85 GPR119 (0.34) NTRK1NR1H2NR1H3MCL1GPR119
SCHEMBL21099403 0.82 KRAS (0.53) KRASTNFLITAFNTRK1MAP4K1
SCHEMBL21099285 0.81 KRAS (0.41) KRASTNFLITAFNTRK1MAP4K1
SCHEMBL21136716 0.81 KRAS (0.41) KRASTNFLITAFNTRK1MAP4K1
SCHEMBL21099615 0.80 KRAS (0.43) KRASTNFLITAFNTRK1MAP4K1
SCHEMBL25830206 0.79 KRAS (0.39) KRAS
SCHEMBL25829779 0.79 KRAS (0.42) 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 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.