SCHEMBL4994575

SCHEMBL4994575

CC(=O)Nc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.44
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PIK3C3 Q8NEB9 4/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.33
MAPKAPK2 P49137 3/20 0.33
ALOX5 P09917 2/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33

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
SCHEMBL5002531 0.89 CDC7 (0.44) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL4991993 0.89 CDC7 (0.46) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL4996822 0.88 CDC7 (0.43) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL4996380 0.87 CDC7 (0.44) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL4986718 0.86 CTSS (0.43) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL5002412 0.85 MEN1 (0.58) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL14188476 0.84 CDC7 (0.49) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL5000603 0.84 CDC7 (0.40) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL14188519 0.83 CDC7 (0.50) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL4996328 0.83 FYN (0.46) CDC7KDM4EMEN1PRNPPOLB

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 487/4885KDM4E 2647/4885MEN1 2627/4885

“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.