SCHEMBL4996141

SCHEMBL4996141

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Cl)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
LRRK2 Q5S007 4/20 0.38
MTOR P42345 4/20 0.38
KMO O15229 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MELK Q14680 4/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
MAPK1 P28482 1/20 0.34
PIK3CA P42336 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 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
SCHEMBL5000021 0.91 CDC7 (0.43) CDC7LRRK2MEN1KMT2AHSD17B10
SCHEMBL4996453 0.90 CDC7 (0.51) CDC7LRRK2KMOMEN1KMT2A
SCHEMBL5002688 0.90 CDC7 (0.45) CDC7LRRK2KMOMEN1KMT2A
SCHEMBL14188666 0.87 CDC7 (0.46) CDC7LRRK2KMOMEN1KMT2A
SCHEMBL5002369 0.86 CDC7 (0.42) CDC7LRRK2MEN1KMT2APIM1
SCHEMBL14188372 0.86 CDC7 (0.49) CDC7LRRK2PIM1PIM2CYP1A1
SCHEMBL4996452 0.85 CDC7 (0.41) CDC7LRRK2KMOPIM1PIM2
SCHEMBL5000113 0.85 CDC7 (0.46) CDC7
SCHEMBL14188457 0.85 CDC7 (0.50) CDC7LRRK2PIM1PIM2
SCHEMBL5002516 0.85 CDC7 (0.41) CDC7LRRK2KMOMEN1KMT2A

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 577/4885MTOR 71/4885

“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.