SCHEMBL2800322

SCHEMBL2800322

Brc1cccc2ncc(-c3cnn(C4CNC4)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.45
JAK2 O60674 2/20 0.45
TYK2 P29597 2/20 0.45
ABL1 P00519 1/20 0.45
JAK3 P52333 1/20 0.45
KHK P50053 4/20 0.39
EGFR P00533 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
IRAK1 P51617 1/20 0.39
FGFR1 P11362 4/20 0.38
FGFR2 P21802 4/20 0.38
FGFR3 P22607 4/20 0.38
MET P08581 3/20 0.38
MAP4K3 Q8IVH8 1/20 0.38
FGFR4 P22455 2/20 0.35
KDR P35968 2/20 0.35
FLT3 P36888 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 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
SCHEMBL29590312 1.00 JAK1 (0.45) JAK1JAK2TYK2ABL1JAK3
SCHEMBL2800101 0.89 JAK2 (0.56) JAK1JAK2TYK2ABL1JAK3
SCHEMBL2800837 0.84 JAK2 (0.52) JAK1JAK2TYK2ABL1JAK3
SCHEMBL2800150 0.83 JAK2 (0.45) JAK1JAK2TYK2ABL1JAK3
Tert-Butyl Formate SCHEMBL27776921 0.80 JAK2 (0.49) JAK1JAK2TYK2ABL1JAK3
SCHEMBL2799229 0.79 PIK3CA (0.49) JAK1JAK2TYK2ABL1JAK3
SCHEMBL24291840 0.78 EGFR (0.45) JAK1JAK2TYK2ABL1JAK3
SCHEMBL27866956 0.77 JAK2 (0.41) JAK1JAK2TYK2ABL1JAK3
SCHEMBL27866955 0.77 EGFR (0.42) JAK1JAK2TYK2ABL1JAK3
SCHEMBL27091084 0.76 FGFR3 (0.45) JAK1JAK2TYK2ABL1JAK3

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
US-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 US disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 CN 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-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 (2 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 JAK1 2/4885JAK2 1/4885TYK2 4/4885
US-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL JAK1 2486/4885JAK2 2513/4885TYK2 4546/4885

“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.