SCHEMBL1602859

SCHEMBL1602859

CC(C)NC(=O)CC1CNCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
SLC6A1 P30531 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRB2 P47870 2/20 0.30

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
SCHEMBL2911232 0.81 SLC6A1 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL25079322 0.79 CHRM5 (0.41) CHRM5CHRM3MEN1FAAHMAPK1
SCHEMBL5190160 0.75
SCHEMBL2917717 0.75 CXCR4 (0.35) CHRNB2CHRNA7CHRNA4KMT2ALMNA
SCHEMBL28013177 0.74 SLC6A1 (0.35) PARP1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL23389921 0.74 TSHR (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL122593 0.74 TSHR (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27779832 0.73 MIF (0.33) LMNASLC6A1GABRA5GABRB2SLC6A12
SCHEMBL5195467 0.73 NPSR1 (0.35) PARP1
SCHEMBL19009045 0.73 CHRNB2 (0.44) CHRM5CHRM3CHRNB2CHRNB4CHRNA3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed
US-8080561-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2011-12-20 US disclosed
US-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2011-06-30 US disclosed
US-7919502-B2 Pyridopyrazines and derivatives thereof as ALK and c-MET inhibitors CEPHALON, INC. (US) 2011-04-05 US disclosed
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2010-02-25 US disclosed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US disclosed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 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 (3 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-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET CHRM5 395/4885CHRM3 469/4885CHRNB2 3153/4885
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET CHRM5 395/4885CHRM3 469/4885CHRNB2 3153/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET CHRM5 395/4885CHRM3 469/4885CHRNB2 3153/4885

“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.