SCHEMBL4991035

SCHEMBL4991035

O=C1NCCn2nc(-c3ccnc(-c4ccc(F)c(F)c4)n3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.52
KMO O15229 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KCNH2 Q12809 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MAPKAPK2 P49137 4/20 0.33
PARP1 P09874 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
PDE4B Q07343 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 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
SCHEMBL14188522 0.90 CDC7 (0.49) CDC7KMOPIM1PIM2LRRK2
SCHEMBL14188425 0.90 CDC7 (0.49) CDC7PIM1PIM2IKBKBCHUK
SCHEMBL14188514 0.90 CDC7 (0.49) CDC7KMOPIM1PIM2LRRK2
SCHEMBL14188498 0.90 CDC7 (0.49) CDC7PIM1PIM2KDM5BLRRK2
SCHEMBL14188703 0.90 CDC7 (0.49) CDC7KMOPIM1PIM2LRRK2
SCHEMBL14188477 0.90 CDC7 (0.49) CDC7KMOPIM1PIM2KDM4C
SCHEMBL14188530 0.90 CDC7 (0.49) CDC7KMOPIM1PIM2IKBKB
SCHEMBL14188557 0.90 CDC7 (0.53) CDC7PIM1PIM2LRRK2MAPKAPK2
SCHEMBL4997095 0.88 CDC7 (0.54) CDC7PIM1PIM2KDM5BMAPKAPK2
SCHEMBL5000300 0.88 CDC7 (0.47) CDC7KMOPIM1PIM2KCNH2

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 487/4885KMO 444/4885PIM1 539/4885

“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.