Sugi Predict

Sugi Predict / Compounds / SCHEMBL4127006

SCHEMBL4127006

SCHEMBL4127006

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ HASPIN Q8TF76 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ NAMPT P43490 1/20 0.30
▸ LATS1 O95835 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30

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
SCHEMBL1725546 1.00 BRS3 (0.33) BRS3MEN1KMT2AGAAHTT
SCHEMBL15588770 1.00 BRS3 (0.33) BRS3MEN1KMT2AGAAHTT
SCHEMBL15589037 1.00 BRS3 (0.33) BRS3MEN1KMT2AGAAHTT
SCHEMBL9607182 1.00 BRS3 (0.33) BRS3MEN1KMT2AGAAHTT
SCHEMBL12697129 0.91 KMT2A (0.33) BRS3MEN1KMT2AGAAHTT
SCHEMBL15588834 0.89 GAA (0.35) BRS3MEN1KMT2AGAAHTT
SCHEMBL15588715 0.89 GAA (0.35) BRS3MEN1KMT2AGAAHTT
SCHEMBL16698753 0.88 KMT2A (0.35) MEN1KMT2AGAAHTTRAB9A
SCHEMBL16698755 0.88 KMT2A (0.35) MEN1KMT2AGAAHTTRAB9A
SCHEMBL1711567 0.88 KMT2A (0.35) MEN1KMT2AGAAHTTRAB9A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336960-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS NOVARTIS AG (CH) 2015-11-26 — — US disclosed
US-20150336960-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS NOVARTIS AG (CH) 2015-11-26 — — US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 — — US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 — — US disclosed
US-9173883-B2 Ring-substituted N-pyridinyl amides as kinase inhibitors NOVARTIS AG (CH) 2015-11-03 — — US disclosed
US-9173883-B2 Ring-substituted N-pyridinyl amides as kinase inhibitors NOVARTIS AG (CH) 2015-11-03 — — US disclosed
EP-2344474-B1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 — — EP disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 — — US disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 — — US disclosed
US-20150150873-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2015-06-04 — — US disclosed
US-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 — — US disclosed
WO-2014033630-A1 NOVEL AMINOTHIAZOLE CARBOXAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-03-06 — — WO disclosed
WO-2013175388-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-11-28 — — WO disclosed
US-8329732-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-12-11 — — US disclosed
US-20120225062-A1 NOVEL KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 — — US disclosed
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 — — US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 — — US disclosed
US-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 — — US disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 — — US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 — — 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 (9 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-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 BRS3 4063/4885MEN1 2942/4885KMT2A 655/4885
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 BRS3 4063/4885MEN1 2942/4885KMT2A 655/4885
US-20100056576-A1 Kinase inhibitors and methods of their use PIM1, PIM2, PIM3 BRS3 4063/4885MEN1 2942/4885KMT2A 655/4885
US-20120225062-A1 NOVEL KINASE INHIBITORS PIM1, PIM2, PIM3 BRS3 4607/4885MEN1 2222/4885KMT2A 966/4885
US-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 BRS3 4027/4885MEN1 3664/4885KMT2A 1446/4885
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 BRS3 4063/4885MEN1 2942/4885KMT2A 655/4885
US-20150150873-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS PIM1, PIM2, MAP3K1 BRS3 3699/4885MEN1 3678/4885KMT2A 1870/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 BRS3 4027/4885MEN1 3664/4885KMT2A 1446/4885
US-20150336960-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS PIM1, PIM2, PIM3 BRS3 2791/4885MEN1 4161/4885KMT2A 2907/4885

“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.