SCHEMBL4445009

SCHEMBL4445009

CC(=O)c1ccc(N2CCCC(NC(=O)OC(C)(C)C)C2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.52
KDM4E B2RXH2 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
BTK Q06187 5/20 0.48
AURKA O14965 3/20 0.47
PDPK1 O15530 3/20 0.47
AURKB Q96GD4 3/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
JAK3 P52333 2/20 0.46
F10 P00742 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
GAA P10253 3/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 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
SCHEMBL27775393 0.90 KDM4E (0.47) MAP4K4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4437103 0.90 MAP4K4 (0.50) MAP4K4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4436856 0.88 NPC1 (0.51) MAP4K4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4445108 0.88 KDM4E (0.53) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL807386 0.88 MAP4K4 (0.52) MAP4K4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4445734 0.88 MAP4K4 (0.53) MAP4K4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28566874 0.87 HTT (0.54) MAP4K4KDM4EBTKAURKAPDPK1
SCHEMBL4436879 0.87 MAP4K4 (0.52) MAP4K4KDM4EBTKAURKAPDPK1
SCHEMBL4439169 0.86 MAP4K4 (0.52) MAP4K4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28572991 0.86 MAP4K4 (0.52) MAP4K4KDM4ENPC1RAB9ASMN1; 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 13 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
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
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 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
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
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
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 MAP4K4 85/4885KDM4E 946/4885NPC1 4325/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAP4K4 85/4885KDM4E 946/4885NPC1 4325/4885

“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.