SCHEMBL4444713

SCHEMBL4444713

CC(C)(C)[Si](C)(C)OC1CCN(c2ccncc2[N+](=O)[O-])CC1NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.34
HTT P42858 4/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.34
S100A4 P26447 1/20 0.34
RECQL P46063 1/20 0.34
CTSB P07858 1/20 0.32
TP53 P04637 1/20 0.32
CTPS1 P17812 1/20 0.32

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
SCHEMBL11898762 1.00 MAPT (0.39) MAPTALDH1A1TDP1HTTKMT2A
SCHEMBL4444705 1.00 MAPT (0.39) MAPTALDH1A1TDP1HTTKMT2A
SCHEMBL4444646 1.00 MAPT (0.39) MAPTALDH1A1TDP1HTTKMT2A
SCHEMBL11898761 1.00 MAPT (0.39) MAPTALDH1A1TDP1HTTKMT2A
SCHEMBL4444653 1.00 MAPT (0.39) MAPTALDH1A1TDP1HTTKMT2A
SCHEMBL4555184 0.93 MAPT (0.39) MAPTALDH1A1TDP1HTTKMT2A
SCHEMBL4555183 0.93 MAPT (0.39) MAPTALDH1A1TDP1HTTKMT2A
SCHEMBL4118695 0.91 MAPT (0.38) MAPTALDH1A1HTTKMT2AMAPK1
SCHEMBL4132594 0.91 MAPT (0.38) MAPTALDH1A1HTTKMT2AMAPK1
SCHEMBL3225672 0.86 MAPT (0.35) MAPTALDH1A1HTTKMT2AMAPK1

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
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-2344473-B1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2014-04-16 EP disclosed
EP-2262802-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-10-23 EP disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 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 MAPT 4106/4885ALDH1A1 2176/4885TDP1 599/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 4106/4885ALDH1A1 2176/4885TDP1 599/4885

“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.