SCHEMBL2799229

SCHEMBL2799229

CC(=O)N1CCC(n2cc(-c3cnc4cccc(Br)c4n3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.49
MTOR P42345 2/20 0.49
MET P08581 2/20 0.49
MAP4K1 Q92918 1/20 0.49
EGFR P00533 1/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
PIK3CD O00329 1/20 0.46
KDR P35968 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
MAP3K7 O43318 12/20 0.45
TAB1 Q15750 12/20 0.45
JAK2 O60674 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL2800814 0.87 KDR (0.54) PIK3CAMTORMETJAK1TYK2
SCHEMBL27866955 0.86 EGFR (0.42) PIK3CAMTOREGFRJAK1TYK2
SCHEMBL2800150 0.85 JAK2 (0.45) PIK3CAMTOREGFRJAK1TYK2
SCHEMBL24289431 0.85 KDR (0.45) PIK3CAMTORMETEGFRJAK1
SCHEMBL29591557 0.85 KDR (0.45) PIK3CAMTORMETEGFRJAK1
SCHEMBL27776919 0.84 KDR (0.41) PIK3CAMTORMETEGFRJAK1
SCHEMBL24290582 0.84 KDR (0.49) PIK3CAMTORMETEGFRJAK1
SCHEMBL27866956 0.82 JAK2 (0.41) PIK3CAMTOREGFRJAK1TYK2
SCHEMBL2800101 0.81 JAK2 (0.56) METMAP4K1JAK1TYK2JAK3
SCHEMBL2800837 0.81 JAK2 (0.52) PIK3CAMTORMETEGFRJAK1

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 PIK3CA 295/4885MTOR 408/4885MET 1185/4885

“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.