SCHEMBL2947115

SCHEMBL2947115

CCCNc1ccc2ncc(-c3ccc(CO)cc3)n2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 16/20 0.73
MKNK1 Q9BUB5 2/20 0.62
NTRK1 P04629 1/20 0.61
NTRK3 Q16288 1/20 0.61
NTRK2 Q16620 1/20 0.61
CCNT1 O60563 1/20 0.61
ABL1 P00519 1/20 0.61
PGK1 P00558 1/20 0.61
CDK1 P06493 1/20 0.61
PIM1 P11309 1/20 0.61
CCNB1 P14635 1/20 0.61
CCNA2 P20248 1/20 0.61
CDK2 P24941 1/20 0.61
CSNK1E P49674 1/20 0.61
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
CDK9 P50750 1/20 0.61
JAK3 P52333 1/20 0.61
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61

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
SCHEMBL19467085 0.89 FYN (0.72) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL2949519 0.87 FYN (0.77) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL2948161 0.87 FYN (0.77) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL4694858 0.86 FYN (0.75) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL2940401 0.86 FYN (0.76) FYNCCNT1ABL1PGK1CDK1
SCHEMBL3037215 0.85 FYN (1.00) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL13234625 0.84 FYN (1.00) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL2950581 0.84 FYN (0.72) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL4692379 0.83 FYN (1.00) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL19467190 0.82 FYN (0.63) FYNMKNK1CCNT1ABL1PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
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
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
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.