SCHEMBL4718561

SCHEMBL4718561

O=C1NCCn2nc(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.63
CDC7 O00311 1/20 0.55
PIM1 P11309 2/20 0.54
PIM2 Q9P1W9 2/20 0.54
MAP4K4 O95819 2/20 0.54
CSNK1G2 P78368 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
PLK4 O00444 1/20 0.54
DAPK3 O43293 1/20 0.54
DYRK3 O43781 1/20 0.54
PRKD3 O94806 1/20 0.54
CHEK2 O96017 1/20 0.54
CDK1 P06493 1/20 0.54
RPS6KB1 P23443 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPK8 P45983 1/20 0.54
MAPK9 P45984 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CSNK1D P48730 1/20 0.54

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
SCHEMBL4716974 0.94 MAPKAPK2 (0.61) MAPKAPK2CDC7PIM1PIM2MAP4K4
SCHEMBL5002274 0.88 CDC7 (0.56) MAPKAPK2CDC7PIM1PIM2MAP4K4
SCHEMBL4996535 0.85 CDC7 (0.49) MAPKAPK2CDC7PIM1PIM2MAP4K4
SCHEMBL14188396 0.83 CDC7 (0.55) MAPKAPK2CDC7PIM1PIM2MAP4K4
SCHEMBL4994454 0.82 CDC7 (0.65) MAPKAPK2CDC7PIM1PIM2CDK1
SCHEMBL4716386 0.81 MAPKAPK2 (0.59) MAPKAPK2CDC7PIM1PIM2MAP4K4
SCHEMBL4997418 0.81 CDC7 (0.64) MAPKAPK2CDC7PIM1PIM2PIM3
SCHEMBL4716201 0.81 MAPKAPK2 (0.65) MAPKAPK2CDC7PIM1PIM2MAP4K4
SCHEMBL4994609 0.81 MAPKAPK2 (0.58) MAPKAPK2CDC7PIM1PIM2MAP4K4
SCHEMBL5002448 0.80 CDC7 (0.60) MAPKAPK2CDC7PIM1PIM2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 EP disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 US disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 MAPKAPK2 2/4885CDC7 487/4885PIM1 539/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPKAPK2 1/4885CDC7 331/4885PIM1 790/4885

“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.