SCHEMBL19690381

SCHEMBL19690381

CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2)C(c2cccnc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.48
HDAC6 Q9UBN7 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PIK3CD O00329 2/20 0.41
PRKCQ Q04759 1/20 0.41
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
BCL2 P10415 1/20 0.40
BECN1 Q14457 1/20 0.40
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL19690205 0.88 HDAC6 (0.51) GPR119HDAC6MAPTHDAC8PRKCQ
SCHEMBL19701817 0.86 PIK3CD (0.49) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL38663440 0.86 GPR119 (0.51) GPR119HDAC6CYP3A4CYP3A5MAPT
SCHEMBL19690344 0.83 CNR1 (0.45) GPR119HDAC6MAPTMEN1KMT2A
SCHEMBL470996 0.80 CHRNA7 (0.52) GPR119MAPTKDM4EMEN1ALDH1A1
SCHEMBL23784831 0.80 LMNA (0.50) GPR119MAPTKDM4EMEN1ALDH1A1
SCHEMBL23784833 0.80 LMNA (0.50) GPR119MAPTKDM4EMEN1ALDH1A1
SCHEMBL23784884 0.80 LMNA (0.50) GPR119MAPTKDM4EMEN1ALDH1A1
SCHEMBL30775709 0.80 LMNA (0.50) GPR119MAPTKDM4EMEN1ALDH1A1
SCHEMBL38665341 0.79 USP30 (0.43) GPR119MAPTALDH1A1USP30NR1H2

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
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 GPR119 1090/4885HDAC6 315/4885CYP3A4 2210/4885

“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.