SCHEMBL16088289

SCHEMBL16088289

CC(C)(C)OC(=O)NCCCNc1ccn2ncc(Br)c2n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
PCSK9 Q8NBP7 1/20 0.45
SUV39H2 Q9H5I1 2/20 0.45
BRD4 O60885 14/20 0.44
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42

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
SCHEMBL15894555 0.94 SUV39H2 (0.51) STK17BSTK17APCSK9SUV39H2BRD4
SCHEMBL15891391 0.84 CA12 (0.45) STK17BSTK17APCSK9SUV39H2BRD4
SCHEMBL15891328 0.84 RET (0.41) PCSK9SUV39H2PIM1PIM2
SCHEMBL30103007 0.81 PIM1 (0.40) PIM1PIM2
SCHEMBL18386990 0.81 ADORA3 (0.49) PCSK9SUV39H2BRD4PIM1PIM2
SCHEMBL14830820 0.80 CSNK2A1 (0.47) STK17BSTK17APCSK9BRD4PIM1
SCHEMBL15280689 0.80 RET (0.48) PCSK9SUV39H2PIM1PIM2
SCHEMBL16083665 0.80 PCSK9 (0.49) PCSK9SUV39H2
SCHEMBL15894530 0.80 RET (0.35) PCSK9SUV39H2PIM1PIM2JAK2
SCHEMBL15261632 0.78 PIM1 (0.45) PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970333-B1 MACROCYCLIC LRRK2 KINASE INHIBITORS IPSEN PHARMA SAS (FR) 2017-05-03 EP disclosed
US-9370519-B2 Macrocyclic FLT3 kinase inhibitors ONCODESIGN S.A. (FR) 2016-06-21 US disclosed
US-9370519-B2 Macrocyclic FLT3 kinase inhibitors ONCODESIGN S.A. (FR) 2016-06-21 US disclosed
US-20160031905-A1 Macrocyclic LRRK2 Kinase Inhibitors ONCODESIGN S.A. (FR) 2016-02-04 US disclosed
US-20160031905-A1 Macrocyclic LRRK2 Kinase Inhibitors ONCODESIGN S.A. (FR) 2016-02-04 US disclosed
US-20150283141-A1 MACROCYCLIC FLT3 KINASE INHIBITORS ONCODESIGN SA (FR) 2015-10-08 US disclosed
US-20150283141-A1 MACROCYCLIC FLT3 KINASE INHIBITORS ONCODESIGN SA (FR) 2015-10-08 US disclosed
US-9090630-B2 Macrocyclic FLT3 kinase inhibitors ONCODESIGN S.A. (FR) 2015-07-28 US disclosed
US-9090630-B2 Macrocyclic FLT3 kinase inhibitors ONCODESIGN S.A. (FR) 2015-07-28 US disclosed
US-20140303159-A1 MACROCYCLIC FLT3 KINASE INHIBITORS ONCODESIGN S.A. (FR) 2014-10-09 US disclosed
US-20140303159-A1 MACROCYCLIC FLT3 KINASE INHIBITORS ONCODESIGN S.A. (FR) 2014-10-09 US disclosed
WO-2014140235-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2014-09-18 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-20140303159-A1 MACROCYCLIC FLT3 KINASE INHIBITORS FLT3, ABL1, FER STK17B 100/4885STK17A 107/4885PCSK9 1957/4885
US-20150283141-A1 MACROCYCLIC FLT3 KINASE INHIBITORS FLT3, ABL1, FER STK17B 100/4885STK17A 107/4885PCSK9 1957/4885
US-20160031905-A1 Macrocyclic LRRK2 Kinase Inhibitors LRRK2, PINK1, PARK7 STK17B 96/4885STK17A 118/4885PCSK9 436/4885

“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.