SCHEMBL5000603

SCHEMBL5000603

CC(=O)Nc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.40
CYP3A4 P08684 3/20 0.40
AAK1 Q2M2I8 3/20 0.40
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
PLK1 P53350 4/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
PRNP P04156 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
FLT3 P36888 1/20 0.35
PYGL P06737 2/20 0.34
WNT3A P56704 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
MAPK14 Q16539 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
SCHEMBL4986718 0.87 CTSS (0.43) CDC7CYP3A4AAK1XDHSLC22A12
SCHEMBL4993091 0.84 CDC7 (0.44) CDC7CYP3A4AAK1XDHPLK1
SCHEMBL5002531 0.84 CDC7 (0.44) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL4994575 0.84 CDC7 (0.44) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL4996822 0.83 CDC7 (0.43) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL5000091 0.82 KMO (0.47) CDC7PLK1PIM1PIM2FLT3
SCHEMBL4996380 0.82 CDC7 (0.44) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL5002412 0.81 MEN1 (0.58) CDC7XDHKDM4EMEN1PRNP
SCHEMBL14188538 0.81 CDC7 (0.48) CDC7KDM4EGAAADORA3PIM1
SCHEMBL14188457 0.79 CDC7 (0.50) CDC7PIM1PIM2FYN

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 487/4885CYP3A4 2609/4885AAK1 325/4885

“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.