SCHEMBL4996996

SCHEMBL4996996

CCOC(=O)C(=O)c1ccccc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CDC7 O00311 1/20 0.40
PARP1 P09874 2/20 0.36
GRM5 P41594 2/20 0.34
LMNA P02545 1/20 0.33
JMJD6 Q6NYC1 3/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL4997456 0.91 PIM1 (0.41) PIM1PIM2CDC7PARP1LMNA
SCHEMBL4995748 0.85 CDC7 (0.44) PIM1PIM2CDC7PARP1GRM5
SCHEMBL4987015 0.84 CDC7 (0.44) PIM1PIM2CDC7PARP1GRM5
SCHEMBL4993289 0.84 CDC7 (0.43) PIM1PIM2CDC7PARP1GRM5
SCHEMBL5000180 0.84 CDC7 (0.42) PIM1PIM2CDC7PARP1GRM5
SCHEMBL4994749 0.84 CDC7 (0.46) PIM1PIM2CDC7PARP1GRM5
SCHEMBL4991863 0.83 CDC7 (0.46) PIM1PIM2CDC7PARP1GRM5
SCHEMBL4993164 0.82 CDC7 (0.45) PIM1PIM2CDC7ALDH1A1KDM4E
SCHEMBL4993809 0.82 CDC7 (0.45) PIM1PIM2CDC7PARP1GRM5
SCHEMBL4997211 0.82 JMJD6 (0.44) PIM1PIM2CDC7PARP1JMJD6

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 PIM1 539/4885PIM2 309/4885CDC7 487/4885

“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.