SCHEMBL4993374

SCHEMBL4993374

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Cl)c1OCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
LRRK2 Q5S007 4/20 0.36
PLAU P00749 1/20 0.34
KMO O15229 1/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
CFTR P13569 3/20 0.33
MEN1 O00255 2/20 0.33
PDE4D Q08499 1/20 0.33
HPGD P15428 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 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
SCHEMBL4997444 0.93 L3MBTL1 (0.41) CDC7ALDH1A1L3MBTL1LMNA
SCHEMBL4997449 0.90 ALDH1A1 (0.41) CDC7PLAUKMT2AALDH1A1GAA
SCHEMBL5002369 0.89 CDC7 (0.42) CDC7LRRK2KMT2AALDH1A1GAA
SCHEMBL5002688 0.89 CDC7 (0.45) CDC7LRRK2KMOKMT2AMEN1
SCHEMBL5002516 0.87 CDC7 (0.41) CDC7LRRK2KMOKMT2AMEN1
SCHEMBL4993219 0.87 CDC7 (0.42) CDC7KMT2AALDH1A1LMNAGAA
SCHEMBL4994795 0.87 ALDH1A1 (0.44) CDC7KMT2AALDH1A1LMNACFTR
SCHEMBL4997016 0.87 CDC7 (0.40) CDC7LRRK2KMOKMT2AMEN1
SCHEMBL5002851 0.85 CDC7 (0.39) CDC7LRRK2KMT2AALDH1A1LMNA
SCHEMBL4996452 0.85 CDC7 (0.41) CDC7LRRK2KMOALDH1A1

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 3 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

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 CDC7 487/4885LRRK2 577/4885PLAU 3275/4885

“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.