SCHEMBL4991902

SCHEMBL4991902

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Br)c1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.43
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
SYK P43405 1/20 0.32
S1PR1 P21453 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
RECQL P46063 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HCRTR1 O43613 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 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
SCHEMBL4996355 0.95 CDC7 (0.41) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4991786 0.95 CDC7 (0.42) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL5000323 0.95 CDC7 (0.42) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4999834 0.94 CDC7 (0.40) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4991823 0.92 CDC7 (0.40) CDC7PIM1PIM2SYKS1PR1
SCHEMBL4995460 0.92 ALDH1A1 (0.41) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL14188684 0.90 CDC7 (0.46) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4994837 0.89 CDC7 (0.43) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4993022 0.89 SMN1; SMN2 (0.40) CDC7MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4994016 0.89 CDC7 (0.37) CDC7PIM1PIM2MEN1KMT2A

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.