SCHEMBL10325795

SCHEMBL10325795

CN[C@H]1CC[C@H](Nc2ncnc3sc(C)c(C)c23)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.74
SMN1; SMN2 Q16637 7/20 0.60
MAPK1 P28482 5/20 0.60
HTT P42858 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
RAB9A P51151 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
RAF1 P04049 3/20 0.51
LMNA P02545 2/20 0.51
CHRM4 P08173 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GRM1 Q13255 1/20 0.46

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
SCHEMBL19523694 1.00 IRAK4 (0.74) IRAK4SMN1; SMN2MAPK1HTTMEN1
SCHEMBL13644124 0.90 IRAK4 (0.73) IRAK4SMN1; SMN2MAPK1HTTMEN1
SCHEMBL10326030 0.88 IRAK4 (0.73) IRAK4SMN1; SMN2MAPK1HTTMEN1
SCHEMBL10326067 0.88 IRAK4 (0.73) IRAK4SMN1; SMN2MAPK1HTTMEN1
SCHEMBL10326031 0.88 IRAK4 (0.73) IRAK4SMN1; SMN2MAPK1HTTMEN1
SCHEMBL13164961 0.87 IRAK4 (0.72) IRAK4SMN1; SMN2MAPK1HTTMEN1
SCHEMBL10343739 0.85 IRAK4 (1.00) IRAK4SMN1; SMN2MAPK1HTTMEN1
SCHEMBL18962386 0.85 IRAK4 (0.69) IRAK4SMN1; SMN2MAPK1HTTMEN1
SCHEMBL6642717 0.78 SMN1; SMN2 (0.60) IRAK4SMN1; SMN2MAPK1HTTMEN1
SCHEMBL10343465 0.78 IRAK4 (0.60) IRAK4SMN1; SMN2MAPK1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239154-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-11-01 EP disclosed
EP-3239154-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-11-01 EP disclosed
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 EP disclosed
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 EP disclosed
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 US disclosed
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 US disclosed
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 US disclosed
US-9340554-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-05-17 US disclosed
US-9340554-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-05-17 US disclosed
US-9340554-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-05-17 US disclosed
US-20150025093-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-01-22 US disclosed
US-20150025093-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-01-22 US disclosed
US-20150025093-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-01-22 US disclosed
US-8703941-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2014-04-22 US disclosed
EP-2663312-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2013-11-20 EP disclosed
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 US disclosed
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 US disclosed
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 US disclosed
WO-2012097013-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-07-19 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 (3 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-20150025093-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885SMN1; SMN2 2457/4885MAPK1 780/4885
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885SMN1; SMN2 2457/4885MAPK1 780/4885
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885SMN1; SMN2 2457/4885MAPK1 780/4885

“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.