SCHEMBL4996355

SCHEMBL4996355

CCCOc1c(Br)cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ALDH1A1 P00352 3/20 0.31
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
FPR2 P25090 1/20 0.31
HCRTR1 O43613 1/20 0.30
S1PR1 P21453 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
SCHEMBL4999834 0.96 CDC7 (0.40) CDC7MEN1KMT2APIM1PIM2
SCHEMBL4991902 0.95 CDC7 (0.43) CDC7MEN1KMT2APIM1PIM2
SCHEMBL4999813 0.93 CDC7 (0.41) CDC7MEN1KMT2APIM1PIM2
SCHEMBL5000323 0.91 CDC7 (0.42) CDC7MEN1KMT2APIM1PIM2
SCHEMBL4997589 0.90 CDC7 (0.41) CDC7MEN1KMT2APIM1PIM2
SCHEMBL4991786 0.90 CDC7 (0.42) CDC7MEN1KMT2APIM1PIM2
SCHEMBL4991823 0.89 CDC7 (0.40) CDC7PIM1PIM2POLBS1PR1
SCHEMBL4997398 0.89 CDC7 (0.40) CDC7MEN1KMT2APIM1PIM2
SCHEMBL4995460 0.88 ALDH1A1 (0.41) CDC7MEN1KMT2APIM1PIM2
SCHEMBL14188684 0.86 CDC7 (0.46) CDC7MEN1KMT2APIM1PIM2

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 487/4885MEN1 2627/4885KMT2A 1490/4885

“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.