SCHEMBL4717528

SCHEMBL4717528

NCCn1nc(-c2ccnc(-c3ccc(CO)cc3)c2)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.64
MARS1 P56192 3/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
PHGDH O43175 2/20 0.39
PTPN1 P18031 1/20 0.39
HDAC1 Q13547 3/20 0.36
KDM1A O60341 2/20 0.36
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
MME P08473 1/20 0.35
MAP4K4 O95819 1/20 0.34
FYN P06241 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34

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 SCHEMBL4716066 0.99 MAPKAPK2 (0.63) MAPKAPK2MARS1LOXL2PHGDHPTPN1
SCHEMBL14188435 0.88 MAPKAPK2 (0.51) MAPKAPK2PHGDHHDAC1KDM1AHDAC2
SCHEMBL14188302 0.86 TDP1 (0.50) MAPKAPK2SMN1; SMN2TDP1
SCHEMBL14188284 0.85 MAPKAPK2 (0.64) MAPKAPK2MARS1LOXL2PTPN1HDAC1
SCHEMBL14188328 0.85 MAPKAPK2 (0.62) MAPKAPK2LOXL2PHGDHHDAC1KDM1A
Hydrochloric Acid SCHEMBL4718396 0.85 TDP1 (0.49) MAPKAPK2SMN1; SMN2TDP1
Trifluoroacetic Acid SCHEMBL4760277 0.84 MAPKAPK2 (0.48) MAPKAPK2PHGDHHDAC1KDM1AHDAC2
SCHEMBL14188449 0.83 MAPKAPK2 (0.57) MAPKAPK2MARS1HDAC1KDM1AHDAC6
SCHEMBL14188353 0.82 MAPKAPK2 (0.58) MAPKAPK2MARS1LOXL2PTPN1HDAC1
SCHEMBL27639060 0.82 MAPKAPK2 (0.67) MAPKAPK2MARS1HDAC1KDM1AHDAC6

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
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 EP claimed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP claimed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 WO claimed
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
CN-1747949-A Acyclic pyrazole compounds PHARMACIA CORP (US) 2006-03-15 CN 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 2/4885MARS1 2800/4885LOXL2 2696/4885

“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.