SCHEMBL1202733

SCHEMBL1202733

CCC(=O)Nc1cnc2ccc(NCc3ccc(Cl)c(Cl)c3)nn12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.61
FYN P06241 4/20 0.61
CHUK O15111 2/20 0.51
MAPK10 P53779 1/20 0.51
CDK2 P24941 1/20 0.48

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
SCHEMBL1203127 0.88 IKBKB (0.67) IKBKBFYNCHUKMAPK10CDK2
SCHEMBL1203552 0.84 FYN (0.57) IKBKBFYN
SCHEMBL1203450 0.83 FYN (0.74) IKBKBFYNCHUKMAPK10CDK2
SCHEMBL1202397 0.83 IKBKB (0.63) IKBKBFYNCHUKMAPK10CDK2
SCHEMBL1203903 0.83 IKBKB (0.63) IKBKBFYNCHUKMAPK10CDK2
SCHEMBL1202940 0.82 FYN (0.56) FYN
SCHEMBL1203807 0.82 IKBKB (0.57) IKBKBFYNCHUKMAPK10CDK2
SCHEMBL1203279 0.82 IKBKB (0.62) IKBKBFYNCHUKMAPK10CDK2
SCHEMBL1203474 0.82 FYN (0.60) IKBKBFYNCHUKMAPK10CDK2
SCHEMBL1203550 0.81 IKBKB (0.59) IKBKBFYNCHUKMAPK10CDK2

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 IKBKB 297/4885FYN 403/4885CHUK 74/4885

“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.