SCHEMBL4716201

SCHEMBL4716201

NCC1Cn2nc(-c3ccnc(-c4cnc5ccccc5c4)c3)cc2C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.65
PLK4 O00444 1/20 0.46
DAPK3 O43293 1/20 0.46
DYRK3 O43781 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
CDK1 P06493 1/20 0.46
PIM1 P11309 1/20 0.46
RPS6KB1 P23443 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
CLK2 P49760 1/20 0.46
IRAK1 P51617 1/20 0.46
MAPK12 P53778 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK1G2 P78368 1/20 0.46

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
SCHEMBL4716386 0.92 MAPKAPK2 (0.59) MAPKAPK2PLK4DAPK3DYRK3PRKD3
SCHEMBL4994609 0.91 MAPKAPK2 (0.58) MAPKAPK2PLK4DAPK3DYRK3PRKD3
SCHEMBL5000593 0.87 MAPKAPK2 (0.54) MAPKAPK2PLK4DAPK3DYRK3PRKD3
SCHEMBL5002667 0.85 MAPKAPK2 (0.57) MAPKAPK2PLK4DAPK3DYRK3PRKD3
SCHEMBL4718561 0.81 MAPKAPK2 (0.63) MAPKAPK2PLK4DAPK3DYRK3PRKD3
SCHEMBL4716974 0.79 MAPKAPK2 (0.61) MAPKAPK2PLK4DAPK3DYRK3PRKD3
SCHEMBL18350249 0.79 MAPKAPK2 (1.00) MAPKAPK2PLK4DAPK3DYRK3PRKD3
SCHEMBL14188379 0.74 MTOR (0.39) MAPKAPK2DYRK3DYRK1AUBA1UBE2E1
SCHEMBL27639079 0.73 MAPKAPK2 (0.49) MAPKAPK2PLK4DAPK3DYRK3PRKD3
SCHEMBL5002274 0.70 CDC7 (0.56) MAPKAPK2PLK4DAPK3DYRK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 EP claimed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP claimed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 US claimed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 WO claimed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 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 (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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 MAPKAPK2 2/4885PLK4 576/4885DAPK3 185/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPKAPK2 1/4885PLK4 554/4885DAPK3 206/4885

“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.