SCHEMBL2949854

SCHEMBL2949854

COc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.68
NTRK1 P04629 2/20 0.66
NTRK3 Q16288 2/20 0.66
NTRK2 Q16620 2/20 0.66
PIM1 P11309 2/20 0.59
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MKNK1 Q9BUB5 1/20 0.52
JAK2 O60674 1/20 0.51
ABL1 P00519 1/20 0.51
INSR P06213 1/20 0.51
LCK P06239 1/20 0.51
CSF1R P07333 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51
IGF1R P08069 1/20 0.51
MET P08581 1/20 0.51
ROS1 P08922 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
SCHEMBL2951694 0.90 FYN (0.78) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL3021153 0.89 NTRK1 (0.69) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1082260 0.89 FYN (0.64) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1054219 0.88 PIM1 (0.71) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1051240 0.88 FYN (0.71) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1055209 0.88 NTRK1 (0.66) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1053021 0.88 FYN (0.68) FYNNTRK1NTRK3NTRK2
SCHEMBL1054612 0.87 FYN (0.78) FYNNTRK1NTRK3NTRK2
SCHEMBL1055522 0.87 FYN (0.74) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL2946495 0.86 FYN (0.64) FYNNTRK1NTRK3NTRK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments MAP4K2, MAP3K1, MAP3K2 FYN 421/4885NTRK1 486/4885NTRK3 623/4885

“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.