SCHEMBL1202971

SCHEMBL1202971

CC(=O)Nc1ccc(NC(=O)c2cnc3ccc(Nc4ccc(F)cc4)nn23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.51
CDK2 P24941 3/20 0.51
DYRK3 O43781 2/20 0.51
CCNT1 O60563 2/20 0.51
CDK9 P50750 2/20 0.51
CDK5 Q00535 2/20 0.51
DYRK1A Q13627 2/20 0.51
CDK5R1 Q15078 2/20 0.51
DYRK2 Q92630 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
FYN P06241 6/20 0.44
KCNH2 Q12809 1/20 0.44
MKNK1 Q9BUB5 3/20 0.44
CCNA1 P78396 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 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
SCHEMBL1203165 0.91 MKNK1 (0.49) CCNA2CDK2DYRK3CCNT1CDK9
SCHEMBL1203922 0.90 PIM1 (0.46) CCNA2CDK2DYRK3CCNT1CDK9
SCHEMBL1203006 0.88 ALDH1A1 (0.42) CCNA2CDK2DYRK3CCNT1CDK9
SCHEMBL1202773 0.87 FYN (0.51) FYNKCNH2MKNK1MEN1KMT2A
SCHEMBL1202366 0.87 DYRK3 (0.49) CCNA2CDK2DYRK3CCNT1CDK9
SCHEMBL1203131 0.86 FYN (0.53) FYNMKNK1IRAK4ALDH1A1TP53
SCHEMBL1202745 0.82 MKNK1 (0.56) CCNA2CDK2DYRK3CCNT1CDK9
SCHEMBL2905619 0.82 KCNH2 (0.47) CCNA2CDK2DYRK3CCNT1CDK9
SCHEMBL1203230 0.80 ESR1 (0.54) CCNA2CDK2DYRK3CCNT1CDK9
SCHEMBL1202750 0.80 NPC1 (0.54) CCNA2CDK2DYRK3CCNT1CDK9

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 1 patent. 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

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 CCNA2 819/4885CDK2 54/4885DYRK3 481/4885

“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.