Sugi Predict

Sugi Predict / Compounds / SCHEMBL4717070

SCHEMBL4717070

SCHEMBL4717070

NCCn1nc(-c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)cc1C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.47
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ GCGR P47871 10/20 0.39
▸ MAT2A P31153 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ ABL1 P00519 3/20 0.36
▸ BCR P11274 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GAA P10253 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
SCHEMBL4791165 0.92 MAPKAPK2 (0.46) MAPKAPK2MAT2AHDAC1KDM4EMAPT
SCHEMBL14215576 0.89 MAPKAPK2 (0.59) MAPKAPK2SCN10AKDM5AKDM2BKDM4C
Trifluoroacetic Acid SCHEMBL4717073 0.88 MAPKAPK2 (0.56) MAPKAPK2SCN10AKDM5AKDM2BKDM4C
SCHEMBL4714467 0.87 MAPKAPK2 (0.47) MAPKAPK2GCGRMAT2AHDAC1ABL1
SCHEMBL14215640 0.87 MAPT (0.48) MAPKAPK2SCN10AKDM5AKDM2BKDM4C
Hydrochloric Acid SCHEMBL4717037 0.86 MAPT (0.47) MAPKAPK2SCN10AKDM5AKDM2BKDM4C
SCHEMBL4714052 0.85 MAPKAPK2 (0.47) MAPKAPK2HDAC1KDM4EMAPT
SCHEMBL4718583 0.84 MAPKAPK2 (0.40) MAPKAPK2HDAC1MAPTMAPK1FLT1
SCHEMBL14188450 0.83 MAPKAPK2 (0.52) MAPKAPK2SCN10AKDM5AKDM2BKDM4C
Hydrochloric Acid SCHEMBL4714314 0.82 MAPKAPK2 (0.52) MAPKAPK2SCN10AKDM5AKDM2BKDM4C

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 5 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
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 2/4885SCN10A 3130/4885KDM5A 2279/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPKAPK2 1/4885SCN10A 3447/4885KDM5A 2859/4885

“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.