SCHEMBL5000323

SCHEMBL5000323

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Br)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKD3 O94806 2/20 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
SCHEMBL4991902 0.95 CDC7 (0.43) CDC7LMNAMEN1KMT2AMAPT
SCHEMBL4991786 0.93 CDC7 (0.42) CDC7LMNAMEN1KMT2AMAPT
SCHEMBL4996896 0.93 CDC7 (0.45) CDC7PIM1PIM2PRKD3PRKCG
SCHEMBL4996355 0.91 CDC7 (0.41) CDC7MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4996397 0.91 CDC7 (0.48) CDC7PIM1PIM2MAPK1PRKD3
SCHEMBL4999834 0.91 CDC7 (0.40) CDC7MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4991823 0.91 CDC7 (0.40) CDC7POLBPIM1PIM2
SCHEMBL5002652 0.89 CDC7 (0.42) CDC7LMNAMEN1KMT2AMAPT
SCHEMBL4995460 0.88 ALDH1A1 (0.41) CDC7NCOA1NCOA3LMNAMEN1
SCHEMBL14188684 0.88 CDC7 (0.46) CDC7MEN1KMT2AALDH1A1PIM1

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 487/4885NCOA1 1465/4885NCOA3 1317/4885

“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.