SCHEMBL4986718

SCHEMBL4986718

CC(=O)Nc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CDC7 O00311 2/20 0.42
CPT1A P50416 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PRNP P04156 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CA P42336 3/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MAP4K1 Q92918 1/20 0.37
ACP1 P24666 1/20 0.37
XDH P47989 3/20 0.36
SLC22A12 Q96S37 1/20 0.36
CYP3A4 P08684 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
RIPK3 Q9Y572 1/20 0.35
KDR P35968 2/20 0.35

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
SCHEMBL5000603 0.87 CDC7 (0.40) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL5002531 0.86 CDC7 (0.44) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL4994575 0.86 CDC7 (0.44) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL4996822 0.85 CDC7 (0.43) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL4994390 0.85 CDC7 (0.46) CTSSCDC7PIM1PIM2
SCHEMBL4996380 0.84 CDC7 (0.44) CDC7KDM4EMEN1PRNPPOLB
SCHEMBL5002366 0.84 CDC7 (0.47) CDC7PIM1PIM2
SCHEMBL4994946 0.84 CDC7 (0.47) CDC7PIM1PIM2
SCHEMBL4997439 0.83 CDC7 (0.46) CTSSCDC7PIM1PIM2AAK1
SCHEMBL4997506 0.83 CDC7 (0.46) CDC7PIM1PIM2

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 CTSS 3463/4885CDC7 487/4885CPT1A 2838/4885

“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.