SCHEMBL4716236

SCHEMBL4716236

CN(C)c1ccc(-c2cc(-c3cc4n(n3)CCCNC4=O)ccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.53
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
MAPKAPK2 P49137 9/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PIK3C3 Q8NEB9 2/20 0.36
FYN P06241 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4717758 0.93 CDC7 (0.62) CDC7ABL1BCRMAPKAPK2KDM4E
Trifluoroacetic Acid SCHEMBL4717244 0.92 CDC7 (0.45) CDC7ABL1BCRMAPKAPK2KDM4E
SCHEMBL14188357 0.85 CDC7 (0.56) CDC7MAPKAPK2PIK3C3
Trifluoroacetic Acid SCHEMBL4996147 0.85 CDC7 (0.52) CDC7ABL1BCRMAPKAPK2KDM4E
SCHEMBL4715783 0.85 CDC7 (0.53) CDC7MAPKAPK2CYP2D6TP53
SCHEMBL4716543 0.83 CDC7 (0.53) CDC7ABL1MAPKAPK2PIK3C3FYN
SCHEMBL4716573 0.80 CDC7 (0.50) CDC7ABL1BCRMAPKAPK2
SCHEMBL14188313 0.80 CDC7 (0.58) CDC7MAPKAPK2PIK3C3
Trifluoroacetic Acid SCHEMBL4712543 0.79 CDC7 (0.48) CDC7ABL1BCRMAPKAPK2PIK3C3
SCHEMBL5000027 0.78 CDC7 (0.83) CDC7MAPKAPK2

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 5 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
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 EP disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 WO 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 487/4885ABL1 563/4885BCR 3771/4885

“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.