SCHEMBL4997439

SCHEMBL4997439

Nc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.46
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MAPKAPK2 P49137 4/20 0.34
LRRK2 Q5S007 3/20 0.34
ABL1 P00519 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MET P08581 2/20 0.32
KCNH2 Q12809 2/20 0.32
NTRK1 P04629 1/20 0.32
AXL P30530 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
KMO O15229 1/20 0.32
S1PR1 P21453 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
SCN9A Q15858 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
SCHEMBL4994946 0.89 CDC7 (0.47) CDC7PIM1PIM2MAPKAPK2LRRK2
SCHEMBL5002366 0.89 CDC7 (0.47) CDC7PIM1PIM2MAPKAPK2LRRK2
SCHEMBL4994390 0.88 CDC7 (0.46) CDC7PIM1PIM2MAPKAPK2LRRK2
SCHEMBL4997506 0.88 CDC7 (0.46) CDC7PIM1PIM2MAPKAPK2ABL1
SCHEMBL5000300 0.87 CDC7 (0.47) CDC7PIM1PIM2MAPKAPK2LRRK2
SCHEMBL14188498 0.87 CDC7 (0.49) CDC7PIM1PIM2MAPKAPK2LRRK2
SCHEMBL14188697 0.86 CDC7 (0.48) CDC7PIM1PIM2MAPKAPK2LRRK2
SCHEMBL4995734 0.85 LRRK2 (0.45) CDC7PIM1PIM2LRRK2CTSS
SCHEMBL4993091 0.85 CDC7 (0.44) CDC7PIM1PIM2MAPKAPK2LRRK2
SCHEMBL14188617 0.85 CDC7 (0.49) CDC7PIM1PIM2MAPKAPK2

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.