SCHEMBL3589546

SCHEMBL3589546

O=C(O)c1ccccc1-c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2.O=C(c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.49
WNK1 Q9H4A3 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
LSS P48449 1/20 0.39
TACR3 P29371 1/20 0.39
F10 P00742 1/20 0.39
AKT1 P31749 1/20 0.38
AVPR1A P37288 1/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL3596426 0.94 ALK (0.47) ALKWNK1LSSF10AKT1
SCHEMBL1601938 0.94 ALK (0.54) ALKPRKAA1CHEK1AURKAJAK2
SCHEMBL3601725 0.93 ALK (0.48) ALKPRKAA1PRKAA2CHEK1AURKA
SCHEMBL3590398 0.92 ALK (0.50) ALKPRKAA1CHEK1AURKAJAK2
SCHEMBL1601821 0.91 ALK (0.52) ALKPRKAA1CHEK1AURKAJAK2
SCHEMBL3598366 0.91 ALK (0.51) ALKPRKAA1CHEK1AURKAJAK2
SCHEMBL3598770 0.91 ALK (0.51) ALKAVPR1APRKAA1CHEK1AURKA
SCHEMBL3606376 0.90 ALK (0.50) ALKPRKAA1CHEK1AURKAJAK2
SCHEMBL3599944 0.90 ALK (0.51) ALKPRKAA1CHEK1AURKAJAK2
SCHEMBL3596500 0.90 ALK (0.49) ALKPRKAA1CHEK1AURKAJAK2

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 1/4885WNK1 1130/4885NR1H4 2259/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET ALK 1/4885WNK1 1130/4885NR1H4 2259/4885

“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.