SCHEMBL4714467

SCHEMBL4714467

CN(C)c1ccc(-c2cc(-c3cc(C(=O)OC(=O)C(F)(F)F)n(CCN)n3)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.47
MAPT P10636 2/20 0.33
FLT3 P36888 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
SYK P43405 1/20 0.31
JMJD6 Q6NYC1 1/20 0.31
LTB4R Q15722 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GCGR P47871 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
FYN P06241 1/20 0.31
MAT2A P31153 1/20 0.30
KDM1A O60341 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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 0.88 MAPKAPK2 (0.46) MAPKAPK2MAPTTDP1POLBALDH1A1
SCHEMBL4717070 0.87 MAPKAPK2 (0.47) MAPKAPK2MAPTABL1BCRGCGR
Trifluoroacetic Acid SCHEMBL4718393 0.87 MAPKAPK2 (0.47) MAPKAPK2MAPTSMN1; SMN2TDP1POLB
Trifluoroacetic Acid SCHEMBL4714469 0.86 MAPKAPK2 (0.58) MAPKAPK2MAPTFLT3ABL1BCR
SCHEMBL14188347 0.85 MAPKAPK2 (0.50) MAPKAPK2MAPTSMN1; SMN2TDP1POLB
SCHEMBL14188284 0.84 MAPKAPK2 (0.64) MAPKAPK2MAPTFLT3ABL1BCR
SCHEMBL4714052 0.83 MAPKAPK2 (0.47) MAPKAPK2MAPTSMN1; SMN2ALDH1A1FYN
SCHEMBL4718583 0.83 MAPKAPK2 (0.40) MAPKAPK2MAPTSMN1; SMN2TDP1POLB
SCHEMBL4713527 0.82 MAPKAPK2 (0.73) MAPKAPK2HDAC1
SCHEMBL4716306 0.78 MAPKAPK2 (0.57) MAPKAPK2MAPTABL1BCRSYK

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 2/4885MAPT 1363/4885FLT3 975/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPKAPK2 1/4885MAPT 2038/4885FLT3 1236/4885

“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.