SCHEMBL4127520

SCHEMBL4127520

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL2839969 1.00 GAA (0.32) GAAHTTMEN1KMT2ACCNT1
SCHEMBL15588715 0.91 GAA (0.35) GAAHTTMEN1KMT2ACCNT1
SCHEMBL15588834 0.91 GAA (0.35) GAAHTTMEN1KMT2ACCNT1
SCHEMBL15589272 0.89 GAA (0.32) GAAHTTMEN1KMT2ACCNT1
SCHEMBL12697129 0.88 KMT2A (0.33) GAAHTTMEN1KMT2A
SCHEMBL9607183 0.88 BRS3 (0.32) GAAHTTMEN1KMT2ACCNT1
SCHEMBL4132194 0.88 BRS3 (0.32) GAAHTTMEN1KMT2ACCNT1
SCHEMBL1711559 0.88 BRS3 (0.32) GAAHTTMEN1KMT2ACCNT1
SCHEMBL15588713 0.88 BRS3 (0.32) GAAHTTMEN1KMT2ACCNT1
SCHEMBL4127006 0.87 BRS3 (0.33) GAAHTTMEN1KMT2ACCNT1

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 28 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
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-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-2013175388-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-11-28 WO disclosed
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP 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 GAA 1084/4885HTT 3168/4885MEN1 2942/4885
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 GAA 1084/4885HTT 3168/4885MEN1 2942/4885
US-20100056576-A1 Kinase inhibitors and methods of their use PIM1, PIM2, PIM3 GAA 1084/4885HTT 3168/4885MEN1 2942/4885
US-20120225062-A1 NOVEL KINASE INHIBITORS PIM1, PIM2, PIM3 GAA 1467/4885HTT 4177/4885MEN1 2222/4885
US-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 GAA 1118/4885HTT 3844/4885MEN1 3664/4885
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 GAA 1084/4885HTT 3168/4885MEN1 2942/4885
US-20150150873-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS PIM1, PIM2, MAP3K1 GAA 1269/4885HTT 3314/4885MEN1 3678/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 GAA 1118/4885HTT 3844/4885MEN1 3664/4885
US-20150336960-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS PIM1, PIM2, PIM3 GAA 1524/4885HTT 1539/4885MEN1 4161/4885

“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.