SCHEMBL21099600

SCHEMBL21099600

CC(C)(C)OC(=O)N1CCN(c2c([N+](=O)[O-])cnc3c(F)c(Br)c(Cl)cc23)[C@@H](CO)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
GPR119 Q8TDV5 9/20 0.37
MET P08581 1/20 0.35
NR1D1 P20393 2/20 0.34
PRKCQ Q04759 1/20 0.34
BTK Q06187 2/20 0.34
KAT7 O95251 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL21136780 1.00 KCNH2 (0.37) KCNH2GPR119METNR1D1PRKCQ
SCHEMBL21099606 0.91 KCNH2 (0.37) KCNH2GPR119METNR1D1PRKCQ
SCHEMBL28681459 0.89 KCNH2 (0.38) KCNH2GPR119METPRKCQBTK
SCHEMBL21052498 0.88 KRAS (0.34) ALDH1A1LMNAMAPT
SCHEMBL21050831 0.88 KRAS (0.34) ALDH1A1LMNAMAPT
SCHEMBL21050833 0.88 KRAS (0.34) ALDH1A1LMNAMAPT
SCHEMBL21099594 0.88 KCNH2 (0.37) KCNH2GPR119METPRKCQALDH1A1
SCHEMBL21099334 0.88 GPR119 (0.36) KCNH2GPR119ALDH1A1MAPT
SCHEMBL28648177 0.88 KCNH2 (0.37) KCNH2GPR119METPRKCQALDH1A1
SCHEMBL21099361 0.86 MET (0.39) KCNH2GPR119METNR1D1PRKCQ

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 KCNH2 4078/4885GPR119 945/4885MET 467/4885

“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.