SCHEMBL4565720

SCHEMBL4565720

CC(C)(C)[Si](C)(C)O[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
MAPT P10636 9/20 0.42
HTT P42858 4/20 0.41
LMNA P02545 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
S100A4 P26447 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
CTSB P07858 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
MITF O75030 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL11906559 1.00 ALDH1A1 (0.42) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL4433633 1.00 ALDH1A1 (0.42) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL4435998 0.81 MAPT (0.40) MAPTHTT
SCHEMBL4555535 0.81 MAPT (0.40) MAPTHTT
SCHEMBL11907738 0.81 MAPT (0.40) MAPTHTT
SCHEMBL2976220 0.81 LMNA (0.63) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL28070539 0.81 MAPT (0.45) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL2976224 0.81 LMNA (0.63) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL9607205 0.80 MAPT (0.36) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL3263210 0.79 MAPT (0.34) ALDH1A1MAPTHTTLMNAMEN1

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-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
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

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 ALDH1A1 2176/4885MAPT 4106/4885HTT 3962/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ALDH1A1 2176/4885MAPT 4106/4885HTT 3962/4885

“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.