SCHEMBL10326441

SCHEMBL10326441

CC(C)c1cc2c(NC3CCC(N)CC3)ncnc2s1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.52
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 7/20 0.43
KMT2A Q03164 5/20 0.43
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38

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
SCHEMBL10343587 1.00 IRAK4 (0.52) IRAK4KDM4EMEN1KMT2AKDM1A
SCHEMBL19444681 0.87 KDM4E (0.62) IRAK4KDM4EMEN1KMT2A
SCHEMBL13583337 0.85 IRAK4 (0.72) IRAK4
SCHEMBL10343675 0.85 IRAK4 (0.72) IRAK4
SCHEMBL10343540 0.80 KDM4E (0.77) IRAK4KDM4EMEN1KMT2AKDM1A
SCHEMBL10325483 0.80 KDM4E (0.77) IRAK4KDM4EMEN1KMT2AKDM1A
SCHEMBL7258860 0.77 MEN1 (0.41) KDM4EMEN1KMT2A
SCHEMBL1604098 0.75 MEN1 (0.58) MEN1KMT2A
SCHEMBL10325724 0.75 IRAK4 (0.42) IRAK4MEN1KMT2A
SCHEMBL10343738 0.75 IRAK4 (0.42) IRAK4MEN1KMT2A

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 9 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-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-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-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
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 4/4885KDM4E 522/4885MEN1 3741/4885
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885KDM4E 522/4885MEN1 3741/4885
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885KDM4E 522/4885MEN1 3741/4885

“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.