SCHEMBL432525

SCHEMBL432525

CCNS(=O)(=O)c1cnc2ccc(Cl)nn12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 14/20 0.61
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
DYRK1A Q13627 5/20 0.39
DYRK2 Q92630 5/20 0.39
DYRK3 O43781 4/20 0.39
DYRK1B Q9Y463 4/20 0.39
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL1203192 0.81 TNF (0.73) TNFPIK3CAMTORDYRK1ADYRK2
SCHEMBL1202637 0.77 TNF (0.59) TNFPIK3CAMTORDYRK1ADYRK2
SCHEMBL431662 0.76 TNF (0.71) TNFPIK3CAMTORDYRK1ADYRK2
SCHEMBL1202687 0.75 TNF (0.53) TNFPIK3CAMTOR
SCHEMBL1203119 0.74 FYN (0.54) TNF
SCHEMBL2068600 0.70 TNF (0.47) TNF
SCHEMBL18766662 0.69 SMN1; SMN2 (0.39) PIK3CAMTORDYRK1ADYRK2DYRK3
SCHEMBL6701189 0.69 MEN1 (0.62)
SCHEMBL13110756 0.69 TNF (0.49) TNFDYRK1ADYRK2DYRK3DYRK1B
SCHEMBL18774038 0.69 TNF (0.46) TNFDYRK1ADYRK2DYRK3DYRK1B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
EP-2614062-A1 IMIDAZO [1, 2]PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-07-17 EP disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed
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 (2 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-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K TNF 2369/4885PIK3CA 130/4885MTOR 180/4885
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 TNF 4372/4885PIK3CA 18/4885MTOR 177/4885

“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.