SCHEMBL12052194

SCHEMBL12052194

CC1(C)OB(c2ccc(NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
MAPT P10636 6/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 3/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MYOC Q99972 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
GAA P10253 4/20 0.46
MGLL Q99685 2/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL488835 0.84 ALDH1A1 (0.58) MAPTKMT2ARAB9AMEN1NPSR1
SCHEMBL3573967 0.83 MAPT (0.66) ATMMAPTKMT2ANPC1RAB9A
SCHEMBL16384516 0.83 ALDH1A1 (0.48) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL12062802 0.82 CA1 (0.45) MAPTKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL14601827 0.79 MAPT (0.57) ATMMAPTKMT2ANPC1RAB9A
SCHEMBL56104 0.79 LPL (0.52) CA1CA2CA9ALDH1A1
SCHEMBL8776629 0.78 MAPT (0.59) ATMMAPTKMT2ANPC1RAB9A
SCHEMBL9985701 0.78 HTR2A (0.64) RAB9AMAPK1SMN1; SMN2CA1CA2
SCHEMBL4550141 0.78 CA1 (0.54) MAPTSMN1; SMN2CA1CA2CA9
SCHEMBL4963324 0.77 MAPT (0.57) ATMMAPTKMT2ANPC1RAB9A

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
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
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 ATM 781/4885MAPT 2297/4885KMT2A 800/4885
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET ATM 781/4885MAPT 2297/4885KMT2A 800/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET ATM 781/4885MAPT 2297/4885KMT2A 800/4885

“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.