SCHEMBL5002665

SCHEMBL5002665

COc1cc(F)c(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.45
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PDE4A P27815 2/20 0.35
GPR84 Q9NQS5 2/20 0.35
LRRK2 Q5S007 6/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
GAK O14976 2/20 0.33
ABL1 P00519 2/20 0.33
FGFR1 P11362 2/20 0.33
FLT1 P17948 2/20 0.33
EPHA2 P29317 2/20 0.33
EPHA4 P54764 2/20 0.33
SCN9A Q15858 1/20 0.32
RPS6KA2 Q15349 2/20 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
SCHEMBL14188392 0.91 CDC7 (0.47) CDC7PIM1PIM2LRRK2CYP1A2
SCHEMBL4992524 0.88 CDC7 (0.45) CDC7PIM1PIM2LRRK2CYP1A2
SCHEMBL4991237 0.88 CDC7 (0.45) CDC7PIM1PIM2LRRK2CYP1A2
SCHEMBL4997041 0.88 CDC7 (0.45) CDC7PIM1PIM2LRRK2CYP1A2
SCHEMBL4999698 0.88 CYP1A2 (0.47) CDC7PIM1PIM2CYP1A2CYP2C19
SCHEMBL14188469 0.87 CDC7 (0.50) CDC7PIM1PIM2LRRK2ALDH1A1
SCHEMBL14188515 0.87 CDC7 (0.46) CDC7PIM1PIM2PDE4ALRRK2
SCHEMBL14188574 0.87 CDC7 (0.46) CDC7PIM1PIM2LRRK2GAK
SCHEMBL14188567 0.87 CDC7 (0.44) CDC7PIM1PIM2GPR84RPS6KA2
SCHEMBL14188663 0.87 CDC7 (0.44) CDC7PIM1PIM2CYP1A2CYP2C19

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.