SCHEMBL4991587

SCHEMBL4991587

O=C1NCCn2nc(-c3ccnc(-c4cccc(-c5ccc(Br)cc5)c4)n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPKAPK2 P49137 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
PARP1 P09874 4/20 0.33
IRAK1 P51617 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SYK P43405 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
AMY1A P0DUB6 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
SCHEMBL4991294 0.91 CDC7 (0.52) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4996811 0.91 CDC7 (0.54) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4987038 0.90 CDC7 (0.51) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4991016 0.87 CDC7 (0.54) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4994640 0.85 CDC7 (0.48) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL5002154 0.85 CDC7 (0.48) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4999667 0.85 CDC7 (0.54) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4990601 0.84 CDC7 (0.56) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4991274 0.84 CDC7 (0.51) CDC7PIM1PIM2MAPKAPK2
SCHEMBL5000066 0.84 CDC7 (0.51) CDC7PIM1PIM2MAPKAPK2PARP1

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.