SCHEMBL1601057

SCHEMBL1601057

CN1CCN(C(=O)c2ccc(-c3cnc4c(c3)N(c3ccccc3C=O)CCN4)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KCNH2 Q12809 3/20 0.46
ALK Q9UM73 4/20 0.46
RIPK1 Q13546 1/20 0.43
BMPR1B O00238 2/20 0.43
BMPR1A P36894 2/20 0.43
ACVRL1 P37023 2/20 0.43
ACVR1 Q04771 2/20 0.43
TGFBR1 P36897 1/20 0.43
MKNK1 Q9BUB5 6/20 0.42
MKNK2 Q9HBH9 6/20 0.42
MAP3K11 Q16584 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL1601053 0.82 POLB (0.55) POLBKCNH2ALKRIPK1BMPR1B
SCHEMBL1601082 0.80 ALK (0.63) POLBKCNH2ALKRIPK1ACVR1
SCHEMBL1601049 0.76 ALK (0.47) POLBKCNH2ALKRIPK1BMPR1B
SCHEMBL19908274 0.74 POLB (0.51) POLBKCNH2RIPK1BMPR1BBMPR1A
SCHEMBL1601026 0.74 ALK (0.70) ALKACVR1
SCHEMBL12574166 0.74 NTRK1 (0.46) POLBKCNH2ALKRIPK1MAP3K11
SCHEMBL1601378 0.74 ALOX5AP (0.31)
SCHEMBL1602485 0.73 ALK (0.59) KCNH2ALKACVR1
SCHEMBL1600276 0.73 KCNH2 (0.45) POLBKCNH2ALKRIPK1BMPR1B
SCHEMBL1601725 0.72 ALK (0.52) POLBKCNH2ALKRIPK1MKNK1

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 12 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 claimed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US claimed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US claimed
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 POLB 4316/4885KCNH2 462/4885ALK 1/4885
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET POLB 4316/4885KCNH2 462/4885ALK 1/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET POLB 4316/4885KCNH2 462/4885ALK 1/4885

“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.