SCHEMBL21099334

SCHEMBL21099334

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.36
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MCL1 Q07820 10/20 0.31
BCL2 P10415 5/20 0.31
BCL2L1 Q07817 4/20 0.31
KCNH2 Q12809 1/20 0.31
KRAS P01116 1/20 0.31
NTRK1 P04629 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL21099286 0.92 GPR119 (0.37) GPR119ALDH1A1MAPTKCNH2NTRK1
SCHEMBL21099385 0.91 GPR119 (0.36) GPR119MCL1BCL2BCL2L1KCNH2
SCHEMBL21050709 0.90 KRAS (0.31) ALDH1A1MAPTKRAS
SCHEMBL30231199 0.88 GPR119 (0.34) GPR119MCL1BCL2BCL2L1NTRK1
SCHEMBL21100003 0.88 GPR119 (0.34) GPR119MCL1BCL2BCL2L1NTRK1
SCHEMBL21136780 0.88 KCNH2 (0.37) GPR119ALDH1A1MAPTKCNH2
SCHEMBL21099600 0.88 KCNH2 (0.37) GPR119ALDH1A1MAPTKCNH2
SCHEMBL21136903 0.86 ALDH1A1 (0.40) GPR119ALDH1A1MAPTMCL1BCL2
SCHEMBL21099591 0.86 GPR119 (0.37) GPR119ALDH1A1MCL1BCL2BCL2L1
SCHEMBL21050695 0.81 MAPT (0.33) 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 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 GPR119 945/4885ALDH1A1 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.