SCHEMBL4986933

SCHEMBL4986933

O=C1NCCn2nc(-c3ccnc(-c4cc(Cl)cc(Cl)c4)n3)cc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.54
MAPKAPK2 P49137 1/20 0.44
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PARP1 P09874 2/20 0.34
GRM5 P41594 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LRRK2 Q5S007 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
MAP4K4 O95819 1/20 0.32
EIF2AK4 Q9P2K8 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
SCHEMBL14188676 0.92 CDC7 (0.49) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL4999721 0.91 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL5000066 0.90 CDC7 (0.51) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL14188488 0.88 CDC7 (0.51) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL4996453 0.87 CDC7 (0.51) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL4999856 0.87 CDC7 (0.51) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL5002481 0.87 CDC7 (0.52) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL4991509 0.86 CDC7 (0.52) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL5000455 0.86 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL4999667 0.86 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2PARP1

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 487/4885MAPKAPK2 2/4885PIM1 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.