SCHEMBL1053959

SCHEMBL1053959

N#Cc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 10/20 0.74
▸ MKNK1 Q9BUB5 3/20 0.72
▸ PIM1 P11309 7/20 0.66
▸ JAK2 O60674 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ NTRK1 P04629 1/20 0.55
▸ INSR P06213 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ CSF1R P07333 1/20 0.55
▸ LYN P07948 1/20 0.55
▸ RET P07949 1/20 0.55
▸ IGF1R P08069 1/20 0.55
▸ MET P08581 1/20 0.55
▸ ROS1 P08922 1/20 0.55
▸ PDGFRB P09619 1/20 0.55
▸ FGR P09769 1/20 0.55
▸ KIT P10721 1/20 0.55
▸ SRC P12931 1/20 0.55
▸ BRAF P15056 1/20 0.55
▸ FLT1 P17948 1/20 0.55

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
SCHEMBL1049305 0.89 FYN (0.74) FYNMKNK1PIM1KCNH2
SCHEMBL1055831 0.89 MKNK1 (0.71) FYNMKNK1PIM1JAK2ABL1
SCHEMBL1053202 0.89 PIM1 (0.80) FYNMKNK1PIM1NTRK1NTRK3
SCHEMBL4692371 0.88 PIM1 (0.79) FYNMKNK1PIM1JAK2ABL1
SCHEMBL1055016 0.86 FYN (0.81) FYNMKNK1PIM1KCNH2
SCHEMBL1055262 0.86 FYN (0.70) FYNMKNK1PIM1KCNH2
SCHEMBL1054745 0.86 PIM1 (0.65) FYNMKNK1PIM1KCNH2
SCHEMBL4779099 0.85 FYN (0.79) FYNMKNK1PIM1KCNH2
SCHEMBL1055876 0.85 FYN (0.79) FYNMKNK1PIM1KCNH2
SCHEMBL1051264 0.85 FYN (0.79) FYNMKNK1PIM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 — — US claimed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 — — US 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 (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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 FYN 666/4885MKNK1 105/4885PIM1 147/4885
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase MAPK1, MAP3K1, MAP3K6 FYN 322/4885MKNK1 52/4885PIM1 157/4885

“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.

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