SCHEMBL2943531

SCHEMBL2943531

Clc1cccc(CNc2ccc3ncc(-c4cccnc4)n3n2)c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.76
MKNK1 Q9BUB5 1/20 0.60
NTRK1 P04629 3/20 0.57
NTRK3 Q16288 3/20 0.57
NTRK2 Q16620 3/20 0.57
DYRK3 O43781 3/20 0.56
CCNA2 P20248 3/20 0.56
CDK2 P24941 3/20 0.56
CDK5 Q00535 3/20 0.56
DYRK1A Q13627 3/20 0.56
CDK5R1 Q15078 3/20 0.56
DYRK2 Q92630 3/20 0.56
DYRK1B Q9Y463 3/20 0.56
IKBKB O14920 1/20 0.54
MAPK10 P53779 1/20 0.54
PIM1 P11309 2/20 0.53
CCNT1 O60563 2/20 0.53
CDK9 P50750 2/20 0.53

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
SCHEMBL13234278 0.92 FYN (0.73) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL2943785 0.89 FYN (0.79) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL30521744 0.86 FYN (1.00) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL2945069 0.86 FYN (0.81) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL18613320 0.86 FYN (1.00) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL2946441 0.85 FYN (0.83) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL1055387 0.85 FYN (0.82) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL2944601 0.85 FYN (0.76) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL30521811 0.84 FYN (1.00) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL18613504 0.84 FYN (1.00) FYNMKNK1NTRK1NTRK3NTRK2

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-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-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
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 421/4885MKNK1 144/4885NTRK1 486/4885

“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.