SCHEMBL17209403

SCHEMBL17209403

c1ccc2c(OC3CCC(N4CCCCC4)CC3)ncnc2c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.57
HRH3 Q9Y5N1 4/20 0.52
HRH1 P35367 1/20 0.52
KCNH2 Q12809 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
JAK3 P52333 2/20 0.42
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCR4 P51679 1/20 0.40

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
SCHEMBL17209394 0.89 IRAK4 (0.54) IRAK4HRH3HRH1KCNH2L3MBTL1
SCHEMBL17209395 0.89 IRAK4 (0.72) IRAK4HRH3HRH1
SCHEMBL21026294 0.81 IRAK4 (0.62) IRAK4
SCHEMBL23707456 0.76 HRH1 (0.47) IRAK4HRH1L3MBTL1LMNAJAK3
SCHEMBL17209402 0.75 IRAK4 (0.65) IRAK4CCR4
SCHEMBL17209398 0.75 HRH1 (0.51) IRAK4HRH3HRH1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL2797523 0.75 JAK3 (0.48) HRH1L3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL8482286 0.75 L3MBTL1 (0.46) IRAK4L3MBTL1LMNAJAK3CYP2C19
SCHEMBL8482284 0.75 L3MBTL1 (0.46) IRAK4L3MBTL1LMNAJAK3CYP2C19
SCHEMBL8487583 0.74 L3MBTL1 (0.44) IRAK4L3MBTL1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 US disclosed
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 US disclosed
WO-2015164374-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-10-29 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 (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-20150329498-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885HRH3 2036/4885HRH1 2453/4885

“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.