SCHEMBL1203809

SCHEMBL1203809

COc1ccc(Nc2ccc3ncc(C(=O)Nc4cccc(CC(=O)O)c4)n3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.49
DYRK3 O43781 2/20 0.44
CCNT1 O60563 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CDK9 P50750 2/20 0.44
CDK5 Q00535 2/20 0.44
DYRK1A Q13627 2/20 0.44
CDK5R1 Q15078 2/20 0.44
DYRK2 Q92630 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
FYN P06241 1/20 0.43
RET P07949 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE5A O76074 1/20 0.42
HPSE Q9Y251 1/20 0.41
MAPT P10636 2/20 0.41
DHODH Q02127 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL1202473 0.90 KDM4E (0.51) FYNRETMEN1KMT2AMAPT
SCHEMBL1202356 0.90 FYN (0.51) PPARDDYRK1ADYRK1BFYNRET
SCHEMBL1202638 0.87 RAB9A (0.50) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL1203859 0.83 KCNH2 (0.52) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL1202900 0.83 PPARD (0.46) PPARDFYNMEN1KMT2APDE5A
SCHEMBL1202443 0.83 KMT2A (0.49) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL1203232 0.82 CLK1 (0.46) FYNRETMEN1KMT2AMAPT
SCHEMBL1202366 0.81 DYRK3 (0.49) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL1203613 0.81 CLK1 (0.48) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL1203239 0.81 FYN (0.51) FYNMEN1KMT2AHIF1ANTRK1

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 PPARD 1100/4885DYRK3 481/4885CCNT1 492/4885

“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.