SCHEMBL4716306

SCHEMBL4716306

CN(C)c1ccc(-c2cc(-c3cc(C(=O)O)n(CCCN)n3)ccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
SYK P43405 4/20 0.36
MARS1 P56192 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
LTB4R Q15722 1/20 0.36
TXK P42681 1/20 0.35
KARS1 Q15046 1/20 0.35
SLK Q9H2G2 1/20 0.35
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35

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 SCHEMBL4712552 0.99 MAPKAPK2 (0.56) MAPKAPK2LOXL2KDM4EALDH1A1KDM5A
SCHEMBL14188284 0.94 MAPKAPK2 (0.64) MAPKAPK2LOXL2KDM4EALDH1A1KDM5A
Trifluoroacetic Acid SCHEMBL4714469 0.88 MAPKAPK2 (0.58) MAPKAPK2LOXL2KDM4EALDH1A1KDM5A
SCHEMBL14188353 0.87 MAPKAPK2 (0.58) MAPKAPK2LOXL2MARS1PDE4APDE4B
Hydrochloric Acid SCHEMBL4718376 0.86 MAPKAPK2 (0.57) MAPKAPK2LOXL2MARS1PDE4APDE4B
SCHEMBL4712817 0.86 MAPKAPK2 (0.55) MAPKAPK2LOXL2KDM4EALDH1A1KDM5A
Hydrochloric Acid SCHEMBL4715203 0.85 MAPKAPK2 (0.54) MAPKAPK2LOXL2KDM4EALDH1A1KDM5A
SCHEMBL14188347 0.81 MAPKAPK2 (0.50) MAPKAPK2ALDH1A1MAPT
SCHEMBL14188450 0.81 MAPKAPK2 (0.52) MAPKAPK2KDM5AKDM4CKDM5BHDAC1
Hydrochloric Acid SCHEMBL4714314 0.81 MAPKAPK2 (0.52) MAPKAPK2KDM5AKDM4CKDM5BHDAC1

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 MAPKAPK2 2/4885LOXL2 2696/4885KDM4E 2647/4885

“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.