SCHEMBL1053141

SCHEMBL1053141

Oc1ccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.67
KCNH2 Q12809 5/20 0.67
FYN P06241 7/20 0.63
MKNK1 Q9BUB5 3/20 0.62
IKBKB O14920 2/20 0.59

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
SCHEMBL3037594 1.00 PIM1 (0.67) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3033716 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3036703 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3043588 0.89 PIM1 (0.72) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3043586 0.89 PIM1 (0.72) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3036678 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL2945956 0.89 PIM1 (0.76) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3036675 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3036707 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB
SCHEMBL3033719 0.89 PIM1 (0.66) PIM1KCNH2FYNMKNK1IKBKB

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 12 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
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
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 US disclosed
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 US disclosed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 US disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 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 (5 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 PIM1 363/4885KCNH2 2562/4885FYN 521/4885
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 PIM1 147/4885KCNH2 4576/4885FYN 666/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 PIM1 363/4885KCNH2 2562/4885FYN 521/4885
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments MAP4K2, MAP3K1, MAP3K2 PIM1 365/4885KCNH2 1604/4885FYN 421/4885
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.