SCHEMBL5002154

SCHEMBL5002154

O=C1NCCn2nc(-c3ccnc(-c4ccccc4-c4ccc(Br)cc4)n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
PARP1 P09874 8/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPKAPK2 P49137 2/20 0.32
MAOB P27338 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
FABP4 P15090 1/20 0.32
NEK2 P51955 1/20 0.31

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
SCHEMBL4994550 0.91 CDC7 (0.52) CDC7PIM1PIM2PARP1MAPKAPK2
SCHEMBL5002764 0.90 CDC7 (0.48) CDC7PIM1PIM2PARP1MEN1
SCHEMBL4996811 0.89 CDC7 (0.54) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL5002646 0.87 CDC7 (0.49) CDC7PIM1PIM2PARP1MAPKAPK2
SCHEMBL4992121 0.87 CDC7 (0.48) CDC7PIM1PIM2PARP1SMN1; SMN2
SCHEMBL14188593 0.87 CDC7 (0.46) CDC7PIM1PIM2PARP1MAPKAPK2
Hydrochloric Acid SCHEMBL5002631 0.86 CDC7 (0.45) CDC7PIM1PIM2PARP1MAPKAPK2
SCHEMBL4991587 0.85 CDC7 (0.48) CDC7PIM1PIM2PARP1MEN1
SCHEMBL4999891 0.85 CDC7 (0.42) CDC7PIM1PIM2PARP1MEN1
SCHEMBL5000407 0.85 CDC7 (0.49) CDC7PIM1PIM2PARP1MEN1

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 487/4885PIM1 539/4885PIM2 309/4885

“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.