SCHEMBL4718583

SCHEMBL4718583

NCCn1nc(-c2ccncc2)cc1C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
MARS1 P56192 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CLK1 P49759 1/20 0.33
UBE2N P61088 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC1 Q13547 3/20 0.32
CCNC P24863 1/20 0.32

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
SCHEMBL4717070 0.84 MAPKAPK2 (0.47) MAPKAPK2FLT1KDRMAPTMAPK1
SCHEMBL4791165 0.83 MAPKAPK2 (0.46) MAPKAPK2POLBTDP1MAPTALDH1A1
SCHEMBL4714467 0.83 MAPKAPK2 (0.47) MAPKAPK2SMN1; SMN2POLBTDP1MAPT
Trifluoroacetic Acid SCHEMBL4718586 0.82 MAPKAPK2 (0.52) MAPKAPK2JAK2JAK1TYK2JAK3
SCHEMBL4713280 0.80 SMN1; SMN2 (0.57) MAPKAPK2SMN1; SMN2POLBTDP1MAPT
SCHEMBL27619923 0.80 MAPKAPK2 (0.45) MAPKAPK2SMN1; SMN2POLBJAK2JAK3
SCHEMBL4718569 0.80 MAPKAPK2 (0.45) MAPKAPK2SMN1; SMN2POLBJAK2JAK3
SCHEMBL4714052 0.80 MAPKAPK2 (0.47) MAPKAPK2SMN1; SMN2MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL4713534 0.79 SMN1; SMN2 (0.56) MAPKAPK2SMN1; SMN2POLBTDP1MAPT
SCHEMBL4790569 0.79 MAPKAPK2 (0.57) MAPKAPK2SMN1; SMN2POLBJAK2JAK1

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
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
CN-1747949-A Acyclic pyrazole compounds PHARMACIA CORP (US) 2006-03-15 CN 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 2/4885SMN1; SMN2 3576/4885POLB 3094/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPKAPK2 1/4885SMN1; SMN2 2997/4885POLB 3106/4885

“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.