SCHEMBL24904176

SCHEMBL24904176

CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccnc(N)n3)cc2C#N)C(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
GPR119 Q8TDV5 7/20 0.41
TBK1 Q9UHD2 5/20 0.39
JAK2 O60674 2/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
SYK P43405 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
SCHEMBL20918396 0.89 TBK1 (0.47) GPR119TBK1JAK2
SCHEMBL20918759 0.89 TBK1 (0.47) GPR119TBK1JAK2
SCHEMBL24904138 0.86 GPR119 (0.43) GPR119TBK1JAK2
SCHEMBL28408114 0.84 TBK1 (0.40) GPR119TBK1JAK2
SCHEMBL20934771 0.83 TBK1 (0.40) GPR119TBK1JAK2
SCHEMBL20918592 0.83 TBK1 (0.40) GPR119TBK1JAK2
SCHEMBL28408117 0.83 GPR119 (0.42) GPR119TBK1JAK2
SCHEMBL20918795 0.81 GPR119 (0.42) PIK3CDGPR119TBK1JAK2
SCHEMBL28413247 0.81 GPR119 (0.42) PIK3CDGPR119TBK1JAK2
SCHEMBL20919037 0.81 GPR119 (0.42) GPR119TBK1JAK2

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-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2023-01-19 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-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA PIK3CD 347/4885GPR119 1450/4885TBK1 4/4885

“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.