SCHEMBL4996341

SCHEMBL4996341

COc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c(C)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.43
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
RAD52 P43351 1/20 0.35
LRRK2 Q5S007 7/20 0.35
PIK3C2A O00443 2/20 0.33
KCNH2 Q12809 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3C2B O00750 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
ZAP70 P43403 3/20 0.32
PRKD3 O94806 1/20 0.32
EGFR P00533 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 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
SCHEMBL14188513 0.92 CDC7 (0.45) CDC7PIM1PIM2LRRK2KCNH2
SCHEMBL4986770 0.90 CDC7 (0.43) CDC7PIM1PIM2LRRK2KCNH2
SCHEMBL14188362 0.87 CDC7 (0.44) CDC7PIM1PIM2POLBUSP2
SCHEMBL4992524 0.86 CDC7 (0.45) CDC7PIM1PIM2LRRK2KCNH2
SCHEMBL4996539 0.86 CDC7 (0.45) CDC7PIM1PIM2LRRK2EGFR
SCHEMBL14188392 0.85 CDC7 (0.47) CDC7PIM1PIM2LRRK2TDP1
SCHEMBL14188389 0.84 CDC7 (0.45) CDC7PIM1PIM2LRRK2USP2
SCHEMBL4993470 0.84 CDC7 (0.45) CDC7PIM1PIM2LRRK2USP2
SCHEMBL14188348 0.84 CDC7 (0.45) CDC7PIM1PIM2USP2CYP1A2
SCHEMBL14188372 0.84 CDC7 (0.49) CDC7PIM1PIM2LRRK2ZAP70

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.