SCHEMBL2949428

SCHEMBL2949428

COc1ccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)cn1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.67
PIM1 P11309 6/20 0.60
KCNH2 Q12809 3/20 0.60
HASPIN Q8TF76 1/20 0.53
MKNK1 Q9BUB5 3/20 0.53
IKBKB O14920 1/20 0.51

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
SCHEMBL3033353 1.00 FYN (0.67) FYNPIM1KCNH2HASPINMKNK1
SCHEMBL13234772 0.88 FYN (0.65) FYNPIM1KCNH2HASPINMKNK1
SCHEMBL1050607 0.88 FYN (0.73) FYNPIM1KCNH2HASPINMKNK1
SCHEMBL3033272 0.87 FYN (0.65) FYNPIM1KCNH2MKNK1IKBKB
SCHEMBL2947994 0.87 FYN (0.65) FYNPIM1KCNH2MKNK1IKBKB
SCHEMBL3042136 0.87 PIM1 (0.62) FYNPIM1KCNH2MKNK1IKBKB
SCHEMBL3042139 0.87 PIM1 (0.62) FYNPIM1KCNH2MKNK1IKBKB
SCHEMBL3040090 0.85 PIM1 (0.64) FYNPIM1KCNH2MKNK1
SCHEMBL3040093 0.85 PIM1 (0.64) FYNPIM1KCNH2MKNK1
SCHEMBL3042044 0.84 FYN (0.80) FYNPIM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments MAP4K2, MAP3K1, MAP3K2 FYN 421/4885PIM1 365/4885KCNH2 1604/4885
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN FYN 3/4885PIM1 138/4885KCNH2 235/4885

“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.