SCHEMBL3596447

SCHEMBL3596447

O=C(O)c1ccccc1-c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2.O=C(c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2)N1CCN(C(=O)C2CCCO2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.47
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FASN P49327 2/20 0.41
EPHX2 P34913 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 1/20 0.39
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36

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
SCHEMBL1601943 0.90 ALK (0.51) ALKPOLBSMN1; SMN2FASNEPHX2
SCHEMBL1601390 0.89 ALK (0.48) ALKPOLBSMN1; SMN2EPHX2F11
SCHEMBL1601938 0.89 ALK (0.54) ALKKMT2A
SCHEMBL3599944 0.89 ALK (0.51) ALKKMT2A
SCHEMBL3600791 0.88 ALK (0.50) ALKF11KLKB1KMT2A
SCHEMBL1601821 0.87 ALK (0.52) ALKKMT2A
SCHEMBL3598366 0.87 ALK (0.51) ALK
SCHEMBL3598770 0.87 ALK (0.51) ALKPOLBKMT2A
SCHEMBL3598142 0.86 ALK (0.55) ALKEPHX2
SCHEMBL3600064 0.86 ALK (0.49) ALKKMT2A

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 7 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-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 (2 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-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET ALK 1/4885POLB 4316/4885SMN1; SMN2 2336/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET ALK 1/4885POLB 4316/4885SMN1; SMN2 2336/4885

“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.