SCHEMBL29920022

SCHEMBL29920022

CNc1c(N)cccc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.53
MAP4K4 O95819 1/20 0.48
GPR119 Q8TDV5 2/20 0.42
NR1H2 P55055 7/20 0.41
NR1H3 Q13133 7/20 0.41
SETD7 Q8WTS6 1/20 0.39
BRD4 O60885 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
KDM1A O60341 1/20 0.38
MAPT P10636 1/20 0.37
HDAC3 O15379 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPKAPK3 Q16644 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL13384125 0.87 HDAC1 (0.54) HDAC1MAP4K4GPR119NR1H2NR1H3
SCHEMBL29919690 0.84 ALDH1A1 (0.47) HDAC1MAP4K4GPR119NR1H2NR1H3
SCHEMBL25703562 0.83 SMARCA2 (0.51) MAP4K4GPR119SMARCA2SMARCA4PBRM1
SCHEMBL13999776 0.78 HDAC1 (0.49) HDAC1MAP4K4GPR119NR1H2NR1H3
SCHEMBL3621405 0.78 HDAC1 (0.52) HDAC1MAP4K4GPR119NR1H2NR1H3
SCHEMBL24719091 0.78 DRD2 (0.50) HDAC1MAP4K4GPR119SUV39H2
SCHEMBL28520979 0.78 MAP4K4 (0.49) HDAC1MAP4K4GPR119NR1H2NR1H3
SCHEMBL29799403 0.78 DRD2 (0.50) HDAC1MAP4K4GPR119SUV39H2
SCHEMBL28600264 0.78 DRD2 (0.50) HDAC1MAP4K4GPR119SUV39H2
SCHEMBL13039967 0.78 HDAC1 (0.47) HDAC1MAP4K4GPR119NR1H2NR1H3

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-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NANJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-09-15 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-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NIM1K, MAP3K1, MAPKAPK2 HDAC1 371/4885MAP4K4 36/4885GPR119 1335/4885

“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.