SCHEMBL2802179

SCHEMBL2802179

Cc1cc(-c2cnc3cccc(Br)c3n2)ccc1C(=O)N(C)CCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.44
JAK1 P23458 5/20 0.44
TYK2 P29597 5/20 0.44
JAK3 P52333 5/20 0.44
ATR Q13535 2/20 0.41
PARP1 P09874 4/20 0.38
NPC1 O15118 2/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
PARP2 Q9UGN5 1/20 0.36
MAP4K1 Q92918 1/20 0.36
GRIN2B Q13224 3/20 0.36
HDAC4 P56524 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL2801290 0.88 JAK2 (0.45) JAK2JAK1TYK2JAK3ATR
SCHEMBL2802153 0.77 MAP4K4 (0.43) JAK2JAK1TYK2JAK3ATR
SCHEMBL2801295 0.76 JAK2 (0.78) JAK2JAK1TYK2JAK3
SCHEMBL2800767 0.76 JAK2 (0.57) JAK2JAK1TYK2JAK3
SCHEMBL2799826 0.76 JAK2 (0.64) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL2799832 0.76 JAK2 (0.64) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL2799829 0.75 JAK2 (0.51) JAK2JAK1TYK2JAK3ATR
SCHEMBL2799963 0.74 JAK2 (0.64) JAK2JAK1TYK2JAK3ATR
SCHEMBL2799764 0.74 JAK2 (0.57) JAK2JAK1TYK2JAK3RAB9A
SCHEMBL2798401 0.74 JAK2 (0.69) JAK2JAK1TYK2JAK3ATR

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 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 (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.