SCHEMBL1054075

SCHEMBL1054075

O=C(O)c1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 16/20 0.74
KCNH2 Q12809 3/20 0.74
FYN P06241 2/20 0.58
DYRK3 O43781 1/20 0.58
DYRK1A Q13627 1/20 0.58
DYRK2 Q92630 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
IKBKB O14920 1/20 0.57

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
SCHEMBL3041419 1.00 PIM1 (0.74) PIM1KCNH2FYNDYRK3DYRK1A
SCHEMBL1054935 0.92 MKNK1 (0.63) PIM1KCNH2FYNDYRK3DYRK1A
SCHEMBL3037341 0.91 PIM1 (0.73) PIM1KCNH2FYN
SCHEMBL3037344 0.91 PIM1 (0.73) PIM1KCNH2FYN
SCHEMBL102927 0.90 PIM1 (0.73) PIM1KCNH2FYNDYRK3DYRK1A
SCHEMBL3033799 0.89 PIM1 (0.70) PIM1KCNH2FYN
SCHEMBL3033801 0.89 PIM1 (0.70) PIM1KCNH2FYN
SCHEMBL3041389 0.88 PIM1 (0.78) PIM1KCNH2FYN
SCHEMBL3041385 0.88 PIM1 (0.78) PIM1KCNH2FYN
SCHEMBL2947595 0.88 IKBKB (0.65) PIM1KCNH2FYNIKBKB

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 10 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
EP-2063962-A2 IRAK MODULATORS FOR TREATING AN INFLAMMATORY CONDITION, CELL PROLIFERATIVE DISORDER, IMMUNE DISORDER Biogen Idec MA Inc. (US) 2009-06-03 EP claimed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008030579-A2 IRAK MODULATORS FOR TREATING AN INFLAMMATORY CONDITION, CELL PROLIFERATIVE DISORDER, IMMUNE DISORDER BIOGEN IDEC MA INC. (US) 2008-03-13 WO claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 US disclosed
EP-1910369-A1 FUSED HETEROCYCLES AS LCK INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
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-2007013673-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-02-01 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 (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 PIM1 147/4885KCNH2 4576/4885FYN 666/4885
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN PIM1 138/4885KCNH2 235/4885FYN 3/4885

“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.