SCHEMBL1202181

SCHEMBL1202181

COc1ccc(CNc2ccc3ncc(C(=O)Nc4cc(C(=O)O)ccc4C)n3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.49
PIM1 P11309 1/20 0.47
HDAC1 Q13547 1/20 0.47
NTRK1 P04629 1/20 0.43
VNN1 O95497 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
RIOX2 Q8IUF8 1/20 0.41
KDM8 Q8N371 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
IKBKB O14920 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARA Q07869 1/20 0.40

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
SCHEMBL1203727 0.90 FYN (0.48) FYNPIM1NTRK1KDM4EIRAK4
SCHEMBL2906861 0.87 FYN (0.51) FYNPIM1HDAC1NTRK1VNN1
SCHEMBL1203065 0.85 PPARA (0.54) FYNPIM1HDAC1NTRK1MEN1
SCHEMBL1203600 0.82 FYN (0.59) FYNPIM1NTRK1VNN1KMT2A
SCHEMBL1202889 0.80 PIM1 (0.50) FYNPIM1HDAC1NTRK1VNN1
SCHEMBL1202563 0.80 MEN1 (0.53) FYNPIM1HDAC1NTRK1MEN1
SCHEMBL1203239 0.80 FYN (0.51) FYNPIM1HDAC1NTRK1MEN1
SCHEMBL1203328 0.79 FYN (0.55) FYNPIM1HDAC1NTRK1
SCHEMBL1203735 0.79 FYN (0.52) FYNPIM1HDAC1NTRK1MAPK1
SCHEMBL1203488 0.79 FYN (0.52) FYNPIM1NTRK1MEN1KMT2A

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 1/4885HDAC1 443/4885

“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.