SCHEMBL16899196

SCHEMBL16899196

Cn1ncc2cc(NC(=O)c3coc(-c4cnn(C5CCCCO5)c4)n3)c(C3CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 15/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
MCL1 Q07820 1/20 0.36
PAICS P22234 2/20 0.36
IRAK1 P51617 2/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL16899134 0.80 IRAK4 (0.39) IRAK4PAICS
SCHEMBL16899135 0.80 IRAK4 (0.39) IRAK4PAICS
Hydrochloric Acid SCHEMBL16899248 0.78 IRAK4 (0.37) IRAK4IRAK1
SCHEMBL16899066 0.78 IRAK4 (0.54) IRAK4IRAK1
SCHEMBL20879664 0.76 KDM5B (0.43) IRAK4RXRARXRBRXRGMCL1
SCHEMBL16896617 0.75 KDM5B (0.42) IRAK4RXRARXRBRXRGMCL1
SCHEMBL16896604 0.73 KDM5B (0.40) RXRARXRBRXRGMCL1KDM5B
SCHEMBL16899063 0.73 CLK2 (0.47) IRAK4MCL1
SCHEMBL16899229 0.72 IRAK4 (0.52) IRAK4
SCHEMBL20801240 0.72 IRAK4 (0.43) IRAK4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092226-B1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2019-03-13 EP disclosed
US-10160753-B2 Indazole compounds as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-12-25 US disclosed
EP-3092226-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-11-16 EP disclosed
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-11-10 US disclosed
WO-2015104662-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 WO 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 (2 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-10160753-B2 Indazole compounds as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 IRAK4 1/4885RXRA 2262/4885RXRB 2143/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 IRAK4 1/4885RXRA 2262/4885RXRB 2143/4885

“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.