SCHEMBL4996896

SCHEMBL4996896

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.45
ZAP70 P43403 10/20 0.37
PRKD3 O94806 2/20 0.37
PRKCG P05129 2/20 0.37
PRKCB P05771 2/20 0.37
LCK P06239 2/20 0.37
PRKCA P17252 2/20 0.37
PRKCH P24723 2/20 0.37
PRKCI P41743 2/20 0.37
PRKCE Q02156 2/20 0.37
PRKCQ Q04759 2/20 0.37
PRKCZ Q05513 2/20 0.37
PRKCD Q05655 2/20 0.37
PRKD1 Q15139 2/20 0.37
EGFR P00533 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
LRRK2 Q5S007 4/20 0.35

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
SCHEMBL4996397 0.94 CDC7 (0.48) CDC7ZAP70PRKD3PRKCGPRKCB
SCHEMBL14188372 0.93 CDC7 (0.49) CDC7ZAP70PRKD3PRKCGPRKCB
SCHEMBL5000323 0.93 CDC7 (0.42) CDC7ZAP70PRKD3PRKCGPRKCB
SCHEMBL4991786 0.93 CDC7 (0.42) CDC7PIM1PIM2LRRK2CYP1A1
SCHEMBL5000316 0.92 CDC7 (0.41) CDC7ZAP70PRKD3PRKCGPRKCB
SCHEMBL4999813 0.91 CDC7 (0.41) CDC7ZAP70PRKD3PRKCGPRKCB
SCHEMBL4997398 0.90 CDC7 (0.40) CDC7PIM1PIM2LRRK2
SCHEMBL4997449 0.89 ALDH1A1 (0.41) CDC7
SCHEMBL5002688 0.89 CDC7 (0.45) CDC7ZAP70PRKD3PRKCGPRKCB
SCHEMBL4997421 0.88 CDC7 (0.46) CDC7PIM1PIM2LRRK2

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 487/4885ZAP70 403/4885PRKD3 90/4885

“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.