Sugi Predict

Sugi Predict / Compounds / SCHEMBL4132594

SCHEMBL4132594

SCHEMBL4132594

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ KDM4D Q6B0I6 3/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CTPS1 P17812 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
SCHEMBL4118695 1.00 MAPT (0.38) MAPTALDH1A1EIF2AK4MAPK1LMNA
SCHEMBL11978257 0.94 MAPT (0.37) MAPTALDH1A1EIF2AK4MAPK1LMNA
SCHEMBL4444705 0.91 MAPT (0.39) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL4444646 0.91 MAPT (0.39) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL4444713 0.91 MAPT (0.39) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL11898762 0.91 MAPT (0.39) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL11898761 0.91 MAPT (0.39) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL4444653 0.91 MAPT (0.39) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL15932928 0.87 MAPT (0.41) MAPTALDH1A1EIF2AK4MAPK1LMNA
SCHEMBL13421932 0.86 MAPT (0.34) MAPTALDH1A1EIF2AK4MAPK1LMNA

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-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 — — 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-8759338-B2 Heterocyclic kinase inhibitors NOVARTIS AG (CH) 2014-06-24 — — US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 — — US disclosed
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 — — US disclosed
US-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 — — US disclosed
US-20110195956-A1 Heterocyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 — — US disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 — — US 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 (5 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-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 MAPT 978/4885ALDH1A1 1386/4885EIF2AK4 368/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 4106/4885ALDH1A1 2176/4885EIF2AK4 401/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 978/4885ALDH1A1 1386/4885EIF2AK4 368/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 4106/4885ALDH1A1 2176/4885EIF2AK4 401/4885
US-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 MAPT 3442/4885ALDH1A1 2194/4885EIF2AK4 512/4885

“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.