SCHEMBL4759535

SCHEMBL4759535

CCOC(=O)c1cc(-c2ccnc(-c3cccc([N+](=O)[O-])c3)c2)nn1CCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
PDE4B Q07343 2/20 0.44
PDE4D Q08499 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.44
MAPKAPK2 P49137 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALOX12 P18054 1/20 0.40

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
Hydrochloric Acid SCHEMBL4717460 0.99 MAPT (0.48) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL14188417 0.95 MAPT (0.50) MAPTALDH1A1MAPK1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4713322 0.94 MAPT (0.49) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL14188277 0.87 MAPKAPK2 (0.55) MAPTALDH1A1SMN1; SMN2GABRA1GABRB2
SCHEMBL14188411 0.87 GABRA1 (0.48) MAPTALDH1A1SMN1; SMN2GABRA1GABRB2
Hydrochloric Acid SCHEMBL4716486 0.87 MAPKAPK2 (0.54) MAPTALDH1A1SMN1; SMN2GABRA1GABRB2
SCHEMBL4715205 0.85 MAPT (0.43) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL14188399 0.83 SMN1; SMN2 (0.48) MAPTALDH1A1MAPK1SMN1; SMN2POLB
Trifluoroacetic Acid SCHEMBL4712751 0.82 GABRA1 (0.46) SMN1; SMN2GABRA1GABRB2MEN1KMT2A
Hydrochloric Acid SCHEMBL4717416 0.82 SMN1; SMN2 (0.47) MAPTALDH1A1MAPK1SMN1; SMN2POLB

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
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
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 (1 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 MAPT 1363/4885ALDH1A1 4153/4885MAPK1 41/4885

“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.