SCHEMBL2800191

SCHEMBL2800191

CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ AR P10275 6/20 0.37
▸ POLB P06746 2/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HRH4 Q9H3N8 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL14009630 0.83 HPGD (0.35) HPGDL3MBTL1HRH3ARPOLB
SCHEMBL13834602 0.79 CCNC (0.42) ARROCK1
SCHEMBL28511272 0.77 HSP90AA1 (0.42) HPGDL3MBTL1POLBROCK1MEN1
SCHEMBL12621028 0.77 POLB (0.55) HPGDL3MBTL1HRH3POLBMEN1
SCHEMBL578389 0.77 POLB (0.55) HPGDL3MBTL1HRH3POLBMEN1
Hydrochloric Acid SCHEMBL2209650 0.76 POLB (0.54) HPGDHRH3POLBMEN1KMT2A
SCHEMBL29709543 0.75 HPGD (0.49) HPGDL3MBTL1POLBROCK1MEN1
SCHEMBL585882 0.75 HPGD (0.49) HPGDL3MBTL1POLBROCK1MEN1
SCHEMBL14081665 0.75 CYP1A2 (0.39) POLBMEN1KMT2A
SCHEMBL2801564 0.74 TP53 (0.45) HPGDL3MBTL1POLBROCK1MEN1

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
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 — — EP disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 — — US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 — — US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 — — US disclosed
EP-2155201-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES Novartis Ag (CH) 2010-02-24 — — EP disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 — — 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 (1 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 HPGD 1877/4885L3MBTL1 2194/4885HRH3 177/4885

“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.

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