SCHEMBL24904207

SCHEMBL24904207

Nc1nccc(-c2ccc(OC3CCOCC3)c(N)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 9/20 0.46
TBK1 Q9UHD2 9/20 0.46
KMO O15229 4/20 0.44
PIK3CA P42336 1/20 0.43
MAPK14 Q16539 1/20 0.43
AURKA O14965 1/20 0.42
CHUK O15111 1/20 0.42
PDPK1 O15530 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
KDR P35968 1/20 0.42
TGFBR1 P36897 1/20 0.42
SYK P43405 1/20 0.42
JAK3 P52333 1/20 0.42
ROCK1 Q13464 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAP3K5 Q99683 1/20 0.42
CAMKK2 Q96RR4 1/20 0.41

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
SCHEMBL12801501 0.88 KMO (0.47) IKBKETBK1KMOPIK3CA
SCHEMBL20918409 0.85 TBK1 (0.64) IKBKETBK1
SCHEMBL12801120 0.82 IKBKE (0.57) IKBKETBK1
SCHEMBL12801672 0.82 TBK1 (0.57) IKBKETBK1
SCHEMBL12801583 0.80 IKBKE (0.56) IKBKETBK1
SCHEMBL12801135 0.80 IKBKE (0.56) IKBKETBK1
SCHEMBL12801392 0.80 IKBKE (0.56) IKBKETBK1
SCHEMBL14771771 0.79 IKBKE (0.46) IKBKETBK1
SCHEMBL12800939 0.79 IKBKE (0.54) IKBKETBK1
SCHEMBL12801086 0.79 IKBKE (0.56) IKBKETBK1JAK3

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 IKBKE 5/4885TBK1 4/4885KMO 1301/4885

“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.