SCHEMBL5000300

SCHEMBL5000300

O=C1NCCn2nc(-c3ccnc(-c4ccc(C(F)(F)F)c(F)c4)n3)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
MAPKAPK2 P49137 3/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 2/20 0.34
KMO O15229 1/20 0.34
LRRK2 Q5S007 3/20 0.34
PLAT P00750 1/20 0.34
KIF11 P52732 5/20 0.34
KCNH2 Q12809 1/20 0.33
PDE2A O00408 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
SCHEMBL4994946 0.92 CDC7 (0.47) CDC7MAPKAPK2PIM1PIM2KMO
SCHEMBL5002533 0.89 CDC7 (0.46) CDC7MAPKAPK2PIM1PIM2KMO
SCHEMBL4991035 0.88 CDC7 (0.52) CDC7MAPKAPK2PIM1PIM2KMO
SCHEMBL5002366 0.88 CDC7 (0.47) CDC7MAPKAPK2PIM1PIM2KMO
SCHEMBL4995937 0.88 CDC7 (0.49) CDC7MAPKAPK2PIM1PIM2LRRK2
SCHEMBL4997439 0.87 CDC7 (0.46) CDC7MAPKAPK2PIM1PIM2KMO
SCHEMBL4997506 0.87 CDC7 (0.46) CDC7MAPKAPK2PIM1PIM2KMO
SCHEMBL4994390 0.87 CDC7 (0.46) CDC7MAPKAPK2PIM1PIM2LRRK2
SCHEMBL5000036 0.87 CDC7 (0.46) CDC7MAPKAPK2PIM1PIM2KMO
SCHEMBL4997034 0.86 CDC7 (0.45) CDC7MAPKAPK2PIM1PIM2KMO

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 487/4885MAPKAPK2 2/4885PIM1 539/4885

“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.