SCHEMBL2949657

SCHEMBL2949657

CN(c1ccc2ncc(-c3cn[nH]c3)n2n1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
KCNH2 Q12809 1/20 0.42
FLT3 P36888 2/20 0.41
NRAS P01111 1/20 0.41
IKBKB O14920 1/20 0.41
JAK1 P23458 1/20 0.39
FYN P06241 3/20 0.39
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
NTRK1 P04629 2/20 0.38
NTRK3 Q16288 2/20 0.38
NTRK2 Q16620 2/20 0.38
MALT1 Q9UDY8 1/20 0.38
CHEK1 O14757 3/20 0.38
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL2949835 0.82 FYN (0.57) FYNMKNK1
SCHEMBL2941584 0.82 FYN (0.56) IKBKBFYNNTRK1NTRK3NTRK2
SCHEMBL2943519 0.81 FYN (0.55) SMN1; SMN2IKBKBFYNMITFALDH1A1
SCHEMBL2944043 0.81 FYN (0.57) SMN1; SMN2FLT3IKBKBFYNMITF
SCHEMBL2949049 0.80 FYN (0.58) IKBKBJAK1FYNDYRK3CCNA2
SCHEMBL2947183 0.80 FYN (0.61) FYN
SCHEMBL2948920 0.79 FYN (0.65) FYN
SCHEMBL2947623 0.79 FYN (0.57) FYN
SCHEMBL2943104 0.78 FYN (0.60) FYNPIM1DYRK3CCNA2CDK2
SCHEMBL2943238 0.78 FYN (0.59) KCNH2FYNPIM1DYRK3CCNA2

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 2 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-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 SMN1; SMN2 4118/4885KCNH2 1604/4885FLT3 168/4885

“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.