SCHEMBL3618166

SCHEMBL3618166

N#Cc1cc(-c2ccnc(-c3cnc(N4CCCOCC4)nc3)c2)[nH]c1N1CCN(C=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 17/20 0.39
MAPKAPK2 P49137 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL13441991 0.92 MAPKAPK2 (0.34) TBK1MAPKAPK2PIK3CDPIK3R1PIK3CA
SCHEMBL13408194 0.88 TBK1 (0.41) TBK1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL14283752 0.87 PIK3CA (0.39) MAPKAPK2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL13408186 0.84 CDC7 (0.43) TBK1PIK3CDPIK3R1PIK3CAPIK3CB
Trifluoroacetic Acid SCHEMBL3613213 0.83 TBK1 (0.36) TBK1
SCHEMBL4005876 0.83 PIK3CA (0.36) MAPKAPK2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL13442016 0.80 MYLK4 (0.36) TBK1MAPKAPK2PIK3CDPIK3R1PIK3CA
SCHEMBL13408196 0.80 PIM1 (0.43) TBK1MAPKAPK2
Trifluoroacetic Acid SCHEMBL3618387 0.79 CDC7 (0.38) TBK1
SCHEMBL13408197 0.79 PIM1 (0.42) MAPKAPK2

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
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 TBK1 4542/4885MAPKAPK2 4395/4885PIK3CD 2927/4885

“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.