SCHEMBL4445346

SCHEMBL4445346

CC(C)(C)OC(=O)NC1CCCN(c2ccncc2NC(=O)c2nc(Cl)c(N)nc2N)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 13/20 0.51
PIM3 Q86V86 11/20 0.51
PIM1 P11309 6/20 0.51
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48
MAP4K4 O95819 2/20 0.47
GSK3B P49841 4/20 0.47
PRKCA P17252 2/20 0.47
PRKCQ Q04759 2/20 0.47
DYRK1A Q13627 2/20 0.44
DYRK3 O43781 1/20 0.44
CSNK1E P49674 1/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
DYRK2 Q92630 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK4 Q9NR20 1/20 0.44

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
SCHEMBL11909216 1.00 PIM2 (0.51) PIM2PIM3PIM1JAK3BTK
SCHEMBL14068020 0.92 BTK (0.49) PIM2PIM3PIM1JAK3BTK
SCHEMBL11907433 0.88 PIM2 (0.55) PIM2PIM3PIM1MAP4K4GSK3B
SCHEMBL11907167 0.87 PIM2 (0.68) PIM2PIM3PIM1MAP4K4GSK3B
SCHEMBL4570885 0.87 PIM2 (0.51) PIM2PIM3PIM1JAK3BTK
SCHEMBL4570884 0.87 PIM2 (0.51) PIM2PIM3PIM1JAK3BTK
SCHEMBL11907439 0.84 PIM2 (0.55) PIM2PIM3PIM1BTKMAP4K4
SCHEMBL4555708 0.84 PIM2 (0.55) PIM2PIM3PIM1BTKMAP4K4
SCHEMBL11907254 0.82 PIM2 (0.73) PIM2PIM3PIM1GSK3BPRKCA
SCHEMBL4565716 0.82 PIM2 (0.50) PIM2PIM3PIM1MAP4K4GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM2 2/4885PIM3 3/4885PIM1 1/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM2 2/4885PIM3 3/4885PIM1 1/4885

“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.