SCHEMBL3596426

SCHEMBL3596426

COc1ccc(CN2CCN(C(=O)c3cnc4c(c3)N(Cc3cc(Cl)ccc3Cl)CCN4)CC2)cc1.O=C(O)c1ccccc1-c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.47
WNK1 Q9H4A3 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 1/20 0.44
AKT1 P31749 2/20 0.43
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
LSS P48449 1/20 0.41
PRKAA2 P54646 1/20 0.40
F10 P00742 2/20 0.39
STAT3 P40763 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3589546 0.94 ALK (0.49) ALKWNK1AKT1KDM4ELSS
SCHEMBL3599793 0.92 ALK (0.48) ALKMAPTGAAHTTSMN1; SMN2
SCHEMBL1601089 0.90 ALK (0.50) ALKWNK1BCHEACHELSS
SCHEMBL1601938 0.89 ALK (0.54) ALKMAPTHTTLMNAHSD17B10
SCHEMBL3601725 0.89 ALK (0.48) ALKKDM4EPRKAA2ALDH1A1LMNA
SCHEMBL1601821 0.89 ALK (0.52) ALKHSD17B10
SCHEMBL3607223 0.88 ALK (0.48) ALKMAPTHTTSMN1; SMN2KDM4E
SCHEMBL3598770 0.87 ALK (0.51) ALKMAPTPKMHSD17B10
SCHEMBL3598366 0.87 ALK (0.51) ALKALDH1A1LMNAPKMNPSR1
SCHEMBL3595222 0.87 ALK (0.51) ALK

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 1130/4885BCHE 3612/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET ALK 1/4885WNK1 1130/4885BCHE 3612/4885

“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.