SCHEMBL2800374

SCHEMBL2800374

CN1CCN(c2ccc(-c3cnc4cccc(-c5ccc(C(O)(O)N6CCSCC6)cc5)c4n3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.53
JAK1 P23458 3/20 0.53
TYK2 P29597 3/20 0.53
JAK3 P52333 3/20 0.53
MET P08581 6/20 0.50
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
CNR2 P34972 1/20 0.42
HDAC8 Q9BY41 1/20 0.39
ATR Q13535 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
FYN P06241 3/20 0.38
TNKS O95271 1/20 0.38
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2797536 0.90 JAK2 (0.53) JAK2JAK1TYK2JAK3MET
SCHEMBL2800460 0.88 JAK2 (0.62) JAK2JAK1TYK2JAK3MET
SCHEMBL2798758 0.84 JAK2 (0.42) JAK2JAK1TYK2JAK3MET
SCHEMBL2800261 0.83 JAK2 (0.50) JAK2JAK1TYK2JAK3MET
SCHEMBL2795573 0.81 JAK2 (0.63) JAK2JAK1TYK2JAK3MET
SCHEMBL2799666 0.78 JAK2 (0.58) JAK2JAK1TYK2JAK3BRD4
SCHEMBL2798305 0.77 JAK2 (0.62) JAK2JAK1TYK2JAK3MET
SCHEMBL2797789 0.75 JAK2 (0.53) JAK2JAK1TYK2JAK3MET
SCHEMBL2800373 0.75 JAK2 (0.67) JAK2JAK1TYK2JAK3MET
SCHEMBL11890128 0.74 JAK2 (0.41) JAK2JAK1TYK2JAK3

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 5 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
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.