SCHEMBL4718569

SCHEMBL4718569

NCCn1nc(-c2ccnc(C=Cc3ccccc3)c2)cc1C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.45
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
IKBKB O14920 1/20 0.34
AURKA O14965 1/20 0.34
CHUK O15111 1/20 0.34
MAPK13 O15264 1/20 0.34
PDPK1 O15530 1/20 0.34
DAPK3 O43293 1/20 0.34
DYRK3 O43781 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
CHEK2 O96017 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
PRKCG P05129 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL27619923 1.00 MAPKAPK2 (0.45) MAPKAPK2CDC7PLK4CHEK1IKBKB
Trifluoroacetic Acid SCHEMBL4718572 0.87 MAPKAPK2 (0.54) MAPKAPK2CDC7PLK4CHEK1IKBKB
Trifluoroacetic Acid SCHEMBL4991464 0.87 MAPKAPK2 (0.54) MAPKAPK2CDC7PLK4CHEK1IKBKB
SCHEMBL14188320 0.85 MAPKAPK2 (0.59) MAPKAPK2CDC7PLK4CHEK1IKBKB
SCHEMBL14188346 0.85 POLB (0.50) MAPKAPK2SMN1; SMN2POLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4716063 0.84 POLB (0.49) MAPKAPK2SMN1; SMN2POLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4994467 0.84 POLB (0.49) MAPKAPK2SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL4993397 0.82 HTR5A (0.32) MAPKAPK2MAPK1MAPT
SCHEMBL4718583 0.80 MAPKAPK2 (0.40) MAPKAPK2JAK2FLT1MAPK1KDR
SCHEMBL4713527 0.78 MAPKAPK2 (0.73) 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 9 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
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 487/4885PLK4 576/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPKAPK2 1/4885CDC7 331/4885PLK4 554/4885

“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.