SCHEMBL2800378

SCHEMBL2800378

CN1CCN(c2ccc(-c3cnc4cccc(-c5ccc(CN6CCS(=O)(=O)CC6)cc5)c4n3)cn2)CC1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.79
JAK3 P52333 11/20 0.79
JAK1 P23458 10/20 0.79
TYK2 P29597 8/20 0.79
MET P08581 2/20 0.52
HDAC8 Q9BY41 1/20 0.43
PTK2 Q05397 2/20 0.42
RET P07949 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
ATR Q13535 1/20 0.40
FYN P06241 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
SCHEMBL2800373 0.92 JAK2 (0.67) JAK2JAK3JAK1TYK2MET
SCHEMBL2797533 0.90 JAK2 (0.68) JAK2JAK3JAK1TYK2MET
SCHEMBL2800469 0.88 JAK2 (1.00) JAK2JAK3JAK1TYK2MET
SCHEMBL2798760 0.84 JAK2 (0.74) JAK2JAK3JAK1TYK2MET
SCHEMBL2800264 0.82 JAK2 (0.81) JAK2JAK3JAK1TYK2PIK3CA
SCHEMBL2797537 0.81 JAK2 (0.62) JAK2JAK3JAK1TYK2MET
SCHEMBL2800453 0.80 JAK2 (0.86) JAK2JAK3JAK1TYK2MET
SCHEMBL2795572 0.80 JAK2 (1.00) JAK2JAK3JAK1TYK2
SCHEMBL2799663 0.80 JAK2 (1.00) JAK2JAK3JAK1TYK2
SCHEMBL2798300 0.78 JAK2 (0.83) JAK2JAK3JAK1TYK2MET

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 11 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
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP disclosed
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
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 JAK2 1/4885JAK3 3/4885JAK1 2/4885

“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.