SCHEMBL4991786

SCHEMBL4991786

CCOc1c(Br)cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MIF P14174 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LRRK2 Q5S007 3/20 0.33
LMNA P02545 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 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) CDC7KMT2AMEN1MAPTGAA
SCHEMBL4999813 0.93 CDC7 (0.41) CDC7KMT2AMEN1MAPTGAA
SCHEMBL5000323 0.93 CDC7 (0.42) CDC7KMT2AMEN1MAPTMAPK1
SCHEMBL4996896 0.93 CDC7 (0.45) CDC7PIM1PIM2LRRK2CYP1A1
SCHEMBL4997398 0.92 CDC7 (0.40) CDC7KMT2AMEN1MAPTGAA
SCHEMBL4996355 0.90 CDC7 (0.41) CDC7KMT2AMEN1PIM1PIM2
SCHEMBL5002369 0.89 CDC7 (0.42) CDC7KMT2AMEN1MAPTGAA
SCHEMBL4997449 0.89 ALDH1A1 (0.41) CDC7KMT2AMEN1GAAMAPK1
SCHEMBL4999834 0.89 CDC7 (0.40) CDC7KMT2AMEN1PIM1PIM2
SCHEMBL4996397 0.89 CDC7 (0.48) CDC7MAPK1PIM1PIM2LRRK2

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 487/4885KMT2A 1490/4885MEN1 2627/4885

“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.