SCHEMBL1203065

SCHEMBL1203065

COc1ccc(CNc2ccc3ncc(C(=O)Nc4cccc(C(=O)O)c4)n3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.54
PIM1 P11309 1/20 0.51
FYN P06241 6/20 0.50
NTRK1 P04629 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR1H4 Q96RI1 1/20 0.44
FFAR1 O14842 1/20 0.43
HDAC1 Q13547 1/20 0.43
KCNK9 Q9NPC2 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
SCHEMBL1203076 0.90 PIM1 (0.51) PIM1FYNNTRK1MEN1NPC1
SCHEMBL2906861 0.89 FYN (0.51) PIM1FYNNTRK1HDAC1
SCHEMBL1202356 0.89 FYN (0.51) PIM1FYNNTRK1
SCHEMBL1202002 0.86 PPARA (0.52) PPARAMEN1NPC1RAB9AKMT2A
SCHEMBL1202948 0.86 PIM1 (0.50) PIM1FYNNTRK1MEN1RAB9A
SCHEMBL1202889 0.86 PIM1 (0.50) PPARAPIM1FYNNTRK1HDAC1
SCHEMBL1202730 0.86 NTRK1 (0.55) PIM1FYNNTRK1MEN1KMT2A
SCHEMBL1202181 0.85 FYN (0.49) PPARAPIM1FYNNTRK1MEN1
SCHEMBL1203239 0.84 FYN (0.51) PIM1FYNNTRK1MEN1KMT2A
SCHEMBL1203735 0.84 FYN (0.52) PIM1FYNNTRK1HDAC1

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 PPARA 1557/4885PIM1 1/4885FYN 403/4885

“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.