SCHEMBL5000316

SCHEMBL5000316

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Br)c1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ZAP70 P43403 2/20 0.33
LRRK2 Q5S007 5/20 0.33
SYK P43405 6/20 0.31
PRKD3 O94806 1/20 0.31
EGFR P00533 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
LCK P06239 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKCD Q05655 1/20 0.31
PRKD1 Q15139 1/20 0.31
CYP1A1 P04798 1/20 0.31

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
SCHEMBL4996896 0.92 CDC7 (0.45) CDC7PIM1PIM2ZAP70LRRK2
SCHEMBL4991823 0.91 CDC7 (0.40) CDC7PIM1PIM2LRRK2SYK
SCHEMBL4996452 0.90 CDC7 (0.41) CDC7PIM1PIM2ZAP70LRRK2
SCHEMBL4991786 0.89 CDC7 (0.42) CDC7PIM1PIM2LRRK2CYP1A1
SCHEMBL4996397 0.88 CDC7 (0.48) CDC7PIM1PIM2ZAP70LRRK2
SCHEMBL4999813 0.87 CDC7 (0.41) CDC7PIM1PIM2ZAP70LRRK2
SCHEMBL14188372 0.87 CDC7 (0.49) CDC7PIM1PIM2ZAP70LRRK2
SCHEMBL5002532 0.86 CDC7 (0.45) CDC7LRRK2SYKFLT3AURKB
SCHEMBL4997398 0.86 CDC7 (0.40) CDC7PIM1PIM2LRRK2
SCHEMBL5000323 0.85 CDC7 (0.42) CDC7PIM1PIM2ZAP70PRKD3

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.