SCHEMBL3598142

SCHEMBL3598142

O=C(O)c1ccccc1-c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2.O=C(c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.55
EPHX2 P34913 2/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CCR3 P51677 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
EIF4E P06730 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 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
SCHEMBL3599944 0.93 ALK (0.51) ALKKDM4ECHEK1AURKAJAK2
SCHEMBL1602476 0.90 ALK (0.60) ALKEPHX2CCR3KDM4EALDH1A1
SCHEMBL3600791 0.89 ALK (0.50) ALKCHEK1AURKAJAK2PRKD3
SCHEMBL1601938 0.88 ALK (0.54) ALKCHEK1AURKAJAK2PRKD3
SCHEMBL1602021 0.87 MEN1 (0.50) ALK
SCHEMBL3598366 0.87 ALK (0.51) ALKALDH1A1CHEK1AURKAJAK2
SCHEMBL3590398 0.87 ALK (0.50) ALKALDH1A1CHEK1AURKAJAK2
SCHEMBL3596447 0.86 ALK (0.47) ALKEPHX2
SCHEMBL1601821 0.86 ALK (0.52) ALKEIF4ECHEK1AURKAJAK2
SCHEMBL3598770 0.86 ALK (0.51) ALKCHEK1AURKAJAK2PRKD3

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-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
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US 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 1/4885EPHX2 2846/4885ACACB 4517/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET ALK 1/4885EPHX2 2846/4885ACACB 4517/4885

“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.