SCHEMBL4715205

SCHEMBL4715205

CCOC(=O)c1cc(-c2ccnc(-c3cccc([N+](=O)[O-])c3)c2)nn1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPK1 P28482 1/20 0.40
BRD4 O60885 1/20 0.40
PDE4B Q07343 2/20 0.40
PDE4D Q08499 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.39
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL4759535 0.85 MAPT (0.48) MAPTALDH1A1GABRA1GABRB2MAPK1
Hydrochloric Acid SCHEMBL4717460 0.84 MAPT (0.48) MAPTALDH1A1GABRA1GABRB2MAPK1
SCHEMBL4716135 0.83 SMN1; SMN2 (0.44) MAPTALDH1A1BRD4SMN1; SMN2POLB
SCHEMBL14188417 0.83 MAPT (0.50) MAPTALDH1A1GABRA1GABRB2MAPK1
Hydrochloric Acid SCHEMBL4713322 0.82 MAPT (0.49) MAPTALDH1A1GABRA1GABRB2MAPK1
SCHEMBL4713365 0.82 MAPKAPK2 (0.54) MAPTALDH1A1BRD4SMN1; SMN2POLB
SCHEMBL4716122 0.81 FAAH (0.49) MAPTALDH1A1BRD4SMN1; SMN2POLB
SCHEMBL25401892 0.80 ALDH1A1 (0.43) MAPTALDH1A1BRD4SMN1; SMN2POLB
SCHEMBL4760588 0.79 SMN1; SMN2 (0.47) MAPTALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL4716369 0.79 SMN1; SMN2 (0.44) MAPTALDH1A1SMN1; SMN2POLBRAB9A

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 7 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
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 MAPT 1363/4885ALDH1A1 4153/4885GABRA1 3840/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPT 2038/4885ALDH1A1 4380/4885GABRA1 4073/4885

“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.