SCHEMBL1202103

SCHEMBL1202103

COc1ccc(CNc2cc(C)c3ncc(C(=O)O)n3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ASPH Q12797 2/20 0.47
KDM8 Q8N371 2/20 0.47
RIOX2 Q8IUF8 1/20 0.47
FYN P06241 3/20 0.45
VNN1 O95497 3/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
GAA P10253 1/20 0.43
PIM1 P11309 1/20 0.42
HDAC1 Q13547 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE2A O00408 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL1202665 0.89 GAA (0.52) KDM4EASPHKDM8RIOX2FYN
SCHEMBL2903191 0.88 VNN1 (0.47) KDM4EASPHKDM8RIOX2FYN
SCHEMBL1202002 0.85 PPARA (0.52) HDAC1NPC1RAB9AKMT2APPARA
SCHEMBL2905141 0.83 FYN (0.52) FYN
SCHEMBL1203600 0.81 FYN (0.59) KDM4EASPHKDM8RIOX2FYN
SCHEMBL1202658 0.80 PPARA (0.43) FYNGAAHDAC1NPC1RAB9A
SCHEMBL1203164 0.79 KMT2A (0.47) ADORA3ADORA2AADORA1GAANPC1
SCHEMBL1202663 0.79 FYN (0.51) FYNVNN1PIM1HDAC1NPC1
SCHEMBL2903393 0.79 KDM4E (0.47) KDM4EASPHKDM8RIOX2FYN
SCHEMBL1203679 0.75 SCD (0.43) FYNVNN1PIM1HDAC1PDE2A

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 KDM4E 698/4885ASPH 2630/4885KDM8 649/4885

“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.