SCHEMBL30258809

SCHEMBL30258809

CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccn(C(F)F)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
HDAC1 Q13547 1/20 0.41
DEGS1 O15121 5/20 0.40
NAMPT P43490 1/20 0.39
BCL2 P10415 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HCAR3 P49019 1/20 0.38
PTGS1 P23219 2/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CXCR2 P25025 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL22842963 1.00 GRIN2B (0.41) GRIN2BHDAC1DEGS1NAMPTBCL2
SCHEMBL30258652 0.81 ABCB1 (0.38) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20828520 0.76 GRIN2B (0.47) GRIN2BHDAC1DEGS1NAMPTBCL2
SCHEMBL30552385 0.75 HDAC1 (0.51) GRIN2BHDAC1DEGS1NAMPTBCL2
SCHEMBL26227296 0.75 HDAC1 (0.51) GRIN2BHDAC1DEGS1NAMPTBCL2
SCHEMBL19937659 0.75 RAF1 (0.49) GSK3BDYRK1A
SCHEMBL31727242 0.74 GRIN2B (0.48) GRIN2BHDAC1DEGS1NAMPTBCL2
SCHEMBL2877186 0.74 HCAR3 (0.57) GRIN2BHDAC1BCL2HCAR3
SCHEMBL28658285 0.74 GRIN2B (0.48) GRIN2BHDAC1DEGS1NAMPTBCL2
SCHEMBL29651977 0.74 HCAR3 (0.57) GRIN2BHDAC1BCL2HCAR3

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-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-03-23 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-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK2, IRAK1 GRIN2B 3015/4885HDAC1 753/4885DEGS1 4585/4885

“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.