SCHEMBL4991393

SCHEMBL4991393

O=C1NCCn2nc(-c3ccnc(-c4cc(Br)ccc4OCCO)n3)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.43
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
FABP4 P15090 3/20 0.33
FABP3 P05413 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PKN1 Q16512 1/20 0.31
PKN2 Q16513 1/20 0.31
CYP2C9 P11712 1/20 0.30
PTGER1 P34995 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14188680 0.91 CDC7 (0.41) CDC7PIM1PIM2
SCHEMBL14188681 0.90 CDC7 (0.40) CDC7PIM1PIM2SMN1; SMN2
SCHEMBL14188647 0.89 CDC7 (0.42) CDC7PIM1PIM2KMT2A
SCHEMBL4996554 0.87 CDC7 (0.40) CDC7PIM1PIM2PTGDR2SMN1; SMN2
SCHEMBL5000426 0.87 CDC7 (0.44) CDC7PIM1PIM2SMN1; SMN2MEN1
SCHEMBL4994003 0.85 CDC7 (0.40) CDC7CYP2C9PTGER1
SCHEMBL4999913 0.85 CDC7 (0.42) CDC7PIM1PIM2PARP1PARP10
SCHEMBL5000407 0.84 CDC7 (0.49) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188487 0.83 CDC7 (0.46) CDC7PIM1PIM2SMN1; SMN2PARP1
SCHEMBL5002384 0.83 SLC6A4 (0.42) CDC7PIM1PIM2SMN1; SMN2PTGER1

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.