SCHEMBL9100609

SCHEMBL9100609

CC1(C)OB(c2cnn(C3CCN(C4CC4)CC3)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
LRRK2 Q5S007 3/20 0.32
MPO P05164 1/20 0.31
OGA O60502 2/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL21588687 0.92 FFAR1 (0.40) FFAR1GSK3BDYRK1ALRRK2IRAK4
SCHEMBL1987497 0.92 FFAR1 (0.49) FFAR1LRRK2MPOIRAK4
SCHEMBL16437406 0.91 FFAR1 (0.40) FFAR1GSK3BDYRK1ALRRK2MPO
SCHEMBL657486 0.88 FFAR1 (0.44) FFAR1GSK3BDYRK1AIRAK4
SCHEMBL18327119 0.87 FFAR1 (0.40) FFAR1LRRK2OGA
SCHEMBL28649940 0.86 FFAR1 (0.46) FFAR1LRRK2MPOOGA
SCHEMBL29273536 0.86 FFAR1 (0.45) FFAR1LRRK2MPOIRAK4
SCHEMBL2517121 0.86 FFAR1 (0.47) FFAR1MPOIRAK4
SCHEMBL2572488 0.86 FFAR1 (0.47) FFAR1LRRK2MPOIRAK4
SCHEMBL27324144 0.85 FFAR1 (0.47) FFAR1LRRK2MPOIRAK4

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 7 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
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 FFAR1 2789/4885GSK3B 421/4885DYRK1A 115/4885

“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.