SCHEMBL1203409

SCHEMBL1203409

CCOC(=O)c1cnc2ccc(NCc3ccc(OC)cc3)nn12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.56
PIM1 P11309 2/20 0.55
GAA P10253 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
NTRK1 P04629 1/20 0.46
CLK1 P49759 2/20 0.45
IDO1 P14902 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
VNN1 O95497 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1202066 0.88 FYN (0.56) FYNPIM1ADORA3ADORA2AADORA2B
SCHEMBL1202563 0.87 MEN1 (0.53) FYNPIM1NTRK1NPC1RAB9A
SCHEMBL1203600 0.87 FYN (0.59) FYNPIM1NTRK1CLK1NPC1
SCHEMBL1202556 0.85 NTRK1 (0.52) FYNPIM1NTRK1KMT2A
SCHEMBL1203076 0.84 PIM1 (0.51) FYNPIM1NTRK1NPC1RAB9A
SCHEMBL1202078 0.84 IKBKB (0.60) FYNNTRK1
SCHEMBL1202665 0.84 GAA (0.52) FYNPIM1GAAADORA3ADORA2A
SCHEMBL1203713 0.84 PIM1 (0.50) FYNPIM1ADORA3ADORA2AADORA2B
SCHEMBL1203715 0.83 PIM1 (0.49) FYNPIM1GAAADORA3ADORA2A
SCHEMBL15688830 0.81 FYN (0.62) FYNPIM1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-02-24 US disclosed
EP-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 EP disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 WO 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-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 FYN 403/4885PIM1 1/4885GAA 2537/4885

“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.