SCHEMBL2800853

SCHEMBL2800853

Cc1cc(-c2cnc3cccc(-c4ccc(C(O)(O)N5CCSCC5)cc4)c3n2)ccc1C(=O)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.65
JAK1 P23458 13/20 0.65
TYK2 P29597 11/20 0.65
JAK3 P52333 11/20 0.65
PLAUR Q03405 3/20 0.43
LRRK2 Q5S007 1/20 0.41
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL2826310 0.92 JAK2 (0.66) JAK2JAK1TYK2JAK3PLAUR
SCHEMBL2795573 0.92 JAK2 (0.63) JAK2JAK1TYK2JAK3HPGD
SCHEMBL2798850 0.90 JAK2 (0.71) JAK2JAK1TYK2JAK3PLAUR
SCHEMBL2800224 0.89 JAK1 (0.68) JAK2JAK1TYK2JAK3PLAUR
SCHEMBL2800324 0.89 JAK2 (0.63) JAK2JAK1TYK2JAK3PLAUR
SCHEMBL2802325 0.83 JAK2 (0.60) JAK2JAK1TYK2JAK3HPGD
SCHEMBL2800388 0.82 JAK2 (0.54) JAK2JAK1TYK2JAK3HPGD
SCHEMBL2800367 0.81 JAK2 (0.60) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2800261 0.81 JAK2 (0.50) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2796439 0.81 JAK2 (0.75) JAK2JAK1TYK2JAK3PLAUR

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 4 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 claimed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US claimed
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

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 JAK2 1/4885JAK1 2/4885TYK2 4/4885

“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.