SCHEMBL1601462

SCHEMBL1601462

CCOC(=O)c1cncc(B2OC(C)C(C)(C)O2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
UCHL1 P09936 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL701931 0.83 CYP2C19 (0.55) CYP2C19CYP2C9ALDH1A1MAPTATM
SCHEMBL14880510 0.80 CYP2C19 (0.51) CYP2C19CYP2C9ALDH1A1MAPTATM
SCHEMBL25430650 0.75 MAPT (0.33) CYP2C19CYP2C9ALDH1A1MAPTPOLB
SCHEMBL13348317 0.75 CYP2C19 (0.55) CYP2C19CYP2C9ALDH1A1MAPTATM
SCHEMBL277284 0.72 CYP2C19 (0.86) CYP2C19CYP2C9ALDH1A1MAPTATM
SCHEMBL19033845 0.71 CYP2C19 (0.68) CYP2C19CYP2C9ALDH1A1MAPTATM
Hydrochloric Acid SCHEMBL9679507 0.70 CYP2C19 (0.83) CYP2C19CYP2C9ALDH1A1MAPTATM
SCHEMBL30121332 0.68 ATM (0.51) CYP2C19CYP2C9ALDH1A1ATMCA12
SCHEMBL1052988 0.68 ATM (0.51) CYP2C19CYP2C9ALDH1A1ATMCA12
SCHEMBL6979199 0.68 CYP2C19 (0.72) CYP2C19CYP2C9ALDH1A1MAPTATM

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 9 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-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 CYP2C19 1114/4885CYP2C9 2119/4885ALDH1A1 251/4885
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET CYP2C19 1114/4885CYP2C9 2119/4885ALDH1A1 251/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET CYP2C19 1114/4885CYP2C9 2119/4885ALDH1A1 251/4885

“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.