SCHEMBL4996754

SCHEMBL4996754

O=C1NCCn2nc(-c3ccnc(-c4cc(C(F)(F)F)ccc4Br)n3)cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.45
PARP1 P09874 2/20 0.39
PARP10 Q53GL7 1/20 0.39
PIM1 P11309 10/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPKAPK2 P49137 3/20 0.36
ADRB1 P08588 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ADRB2 P07550 1/20 0.32
NCF1 P14598 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
SCHEMBL4999405 0.90 CDC7 (0.45) CDC7PARP1PARP10PIM1PIM2
SCHEMBL14188673 0.90 CDC7 (0.45) CDC7PARP1PARP10PIM1PIM2
SCHEMBL5002445 0.89 CDC7 (0.44) CDC7PARP1PARP10PIM1PIM2
SCHEMBL4996516 0.89 CDC7 (0.44) CDC7PARP1PARP10PIM1PIM2
SCHEMBL5002655 0.89 CDC7 (0.44) CDC7PARP1PARP10PIM1PIM2
SCHEMBL14188509 0.88 CDC7 (0.45) CDC7PARP1PARP10PIM1PIM2
SCHEMBL4993852 0.88 CDC7 (0.45) CDC7PARP1PARP10PIM1PIM2
SCHEMBL4999718 0.87 CDC7 (0.44) CDC7PARP1PARP10PIM1PIM2
SCHEMBL14188512 0.86 CDC7 (0.47) CDC7PARP1PARP10PIM1PIM2
SCHEMBL5000407 0.86 CDC7 (0.49) CDC7PARP1PARP10PIM1PIM2

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 487/4885PARP1 2435/4885PARP10 1407/4885

“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.