Sugi Predict

Sugi Predict / Compounds / SCHEMBL4439799

SCHEMBL4439799

SCHEMBL4439799

CN(C(=O)O)C1CCCN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 3/20 0.44
▸ GAA P10253 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ CTSB P07858 1/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ CDC42BPB Q9Y5S2 2/20 0.39
▸ CDC42BPA Q5VT25 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ATR Q13535 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL13735796 0.86 MAPT (0.42) MAPTALDH1A1LMNAGAAHTT
SCHEMBL13735800 0.86 MAPT (0.42) MAPTALDH1A1LMNAGAAHTT
SCHEMBL4437077 0.82 ATR (0.45) MAPTALDH1A1ROCK2ROCK1CDC42BPB
SCHEMBL4439371 0.81 SMN1; SMN2 (0.42) MAPTALDH1A1LMNAHTTCTSB
SCHEMBL27775555 0.80 MAPT (0.43) MAPTALDH1A1LMNAGAAHTT
SCHEMBL25253014 0.80 ATR (0.43) ROCK2ROCK1CDC42BPBCDC42BPAATR
SCHEMBL25213424 0.80 ATR (0.43) ROCK2ROCK1CDC42BPBCDC42BPAATR
SCHEMBL25253013 0.80 ATR (0.43) ROCK2ROCK1CDC42BPBCDC42BPAATR
SCHEMBL31302469 0.80 AAK1 (0.45) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL4436851 0.79 LMNA (0.59) MAPTALDH1A1LMNAGAAHTT

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 8 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-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 — — EP disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 — — EP disclosed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 — — WO 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 2176/4885LMNA 2380/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 4106/4885ALDH1A1 2176/4885LMNA 2380/4885

“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.