SCHEMBL17879568

SCHEMBL17879568

[2H]C1([2H])CC(c2cc(OC(C)C)c(N)cc2C)CC([2H])([2H])N1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
P2RX3 P56373 2/20 0.34
TRPC6 Q9Y210 1/20 0.34
GPR119 Q8TDV5 8/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1H2 P55055 1/20 0.33
PDE4D Q08499 1/20 0.33
ALK Q9UM73 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
EED O75530 1/20 0.32
RBBP4 Q09028 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
SCHEMBL1012726 0.89 MAPT (0.46) DPP4MAPTKDM4ETHRBTRPC6
SCHEMBL17303726 0.87 KDM4E (0.38) DPP4MAPTKDM4ETHRBP2RX3
SCHEMBL17304017 0.85 PDE4B (0.44) DPP4MAPTKDM4ETHRBTRPC6
SCHEMBL17304222 0.84 SCN9A (0.42) DPP4MAPTKDM4ETHRBALDH1A1
SCHEMBL17879567 0.84 PDK1 (0.38) DPP4MAPTKDM4ETHRBP2RX3
SCHEMBL17304050 0.81 MAPT (0.47) DPP4MAPTKDM4ETHRBTRPC6
SCHEMBL26040751 0.80 DPP4 (0.38) DPP4MAPTKDM4ETHRBGPR119
SCHEMBL17304040 0.78 MAPT (0.43) DPP4MAPTKDM4ETHRBGPR119
SCHEMBL27788457 0.78 TRPC6 (0.38) TRPC6ALK
SCHEMBL19896475 0.77 TRPC6 (0.45) TRPC6PDE4DALK

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-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2016-06-30 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-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS DCK, DPYD, PDCD1 DPP4 383/4885MAPT 996/4885KDM4E 1420/4885

“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.