SCHEMBL4694587

SCHEMBL4694587

N#Cc1ccc(-c2cnc3ccc(NCCCO)nn23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.73
FYN P06241 11/20 0.71
NTRK1 P04629 4/20 0.67
NTRK3 Q16288 4/20 0.67
NTRK2 Q16620 4/20 0.67
JAK2 O60674 1/20 0.67
ABL1 P00519 1/20 0.67
INSR P06213 1/20 0.67
LCK P06239 1/20 0.67
CSF1R P07333 1/20 0.67
LYN P07948 1/20 0.67
RET P07949 1/20 0.67
IGF1R P08069 1/20 0.67
MET P08581 1/20 0.67
ROS1 P08922 1/20 0.67
PDGFRB P09619 1/20 0.67
FGR P09769 1/20 0.67
KIT P10721 1/20 0.67
SRC P12931 1/20 0.67
BRAF P15056 1/20 0.67

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
SCHEMBL1055002 0.85 MKNK1 (0.80) MKNK1FYNIKBKB
SCHEMBL1053575 0.84 MKNK1 (1.00) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL2948191 0.84 MKNK1 (0.78) MKNK1FYNIKBKB
SCHEMBL3041717 0.83 FYN (1.00) MKNK1FYN
SCHEMBL2950417 0.81 FYN (0.79) MKNK1FYN
SCHEMBL2944579 0.81 MKNK1 (0.78) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL2948921 0.81 FYN (0.71) MKNK1FYNABL1IKBKB
SCHEMBL2949545 0.80 NTRK1 (0.68) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL19466721 0.80 NTRK1 (0.62) MKNK1FYNNTRK1NTRK3NTRK2
SCHEMBL20485733 0.80 FYN (1.00) MKNK1FYN

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed
WO-2007025090-A2 HETEROBICYCLIC AND - TRICYCLIC INHIBITORS OF MAPK/ERK KINASE KALYPSYS, INC. (US) 2007-03-01 WO disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 US disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 US disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 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 (1 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-20070049591-A1 Inhibitors of MAPK/Erk Kinase MAPK1, MAP3K1, MAP3K6 MKNK1 52/4885FYN 322/4885NTRK1 1234/4885

“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.