SCHEMBL1203600

SCHEMBL1203600

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.59
PIM1 P11309 2/20 0.56
CLK1 P49759 2/20 0.48
KDM4E B2RXH2 2/20 0.47
ASPH Q12797 2/20 0.47
KDM8 Q8N371 2/20 0.47
RIOX2 Q8IUF8 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
NTRK1 P04629 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
VNN1 O95497 1/20 0.46

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
SCHEMBL1203409 0.87 FYN (0.56) FYNPIM1CLK1NTRK1NPC1
SCHEMBL2906861 0.86 FYN (0.51) FYNPIM1CLK1NTRK1VNN1
SCHEMBL2902453 0.86 PIM1 (0.61) FYNPIM1MKNK1NTRK1
SCHEMBL2902438 0.86 FYN (0.57) FYNNTRK1
SCHEMBL1202088 0.85 FYN (0.63) FYNPIM1KDM4EMKNK1NTRK1
SCHEMBL1203239 0.84 FYN (0.51) FYNPIM1CLK1KDM4ENTRK1
SCHEMBL2943172 0.84 FYN (0.69) FYNPIM1MKNK1NTRK1
SCHEMBL1203735 0.84 FYN (0.52) FYNPIM1CLK1NTRK1
SCHEMBL1203328 0.84 FYN (0.55) FYNPIM1CLK1NTRK1
SCHEMBL1203065 0.83 PPARA (0.54) FYNPIM1NTRK1NPC1RAB9A

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 1/4885CLK1 792/4885

“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.