SCHEMBL21099286

SCHEMBL21099286

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.37
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
GPR174 Q9BXC1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NTRK1 P04629 2/20 0.30
MET P08581 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
SCHEMBL21099334 0.92 GPR119 (0.36) GPR119ALDH1A1MAPTKCNH2MEN1
SCHEMBL21050695 0.89 MAPT (0.33) ALDH1A1MAPT
SCHEMBL21099385 0.85 GPR119 (0.36) GPR119KCNH2MEN1KMT2A
SCHEMBL21050709 0.81 KRAS (0.31) ALDH1A1MAPT
SCHEMBL21099600 0.81 KCNH2 (0.37) GPR119ALDH1A1MAPTKCNH2LMNA
SCHEMBL21136780 0.81 KCNH2 (0.37) GPR119ALDH1A1MAPTKCNH2LMNA
SCHEMBL21099591 0.81 GPR119 (0.37) GPR119ALDH1A1MEN1KMT2AMET
SCHEMBL21100003 0.80 GPR119 (0.34) GPR119NTRK1
SCHEMBL30231199 0.80 GPR119 (0.34) GPR119NTRK1
SCHEMBL21137338 0.78 KCNH2 (0.38) GPR119ALDH1A1MAPTKCNH2LMNA

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.