SCHEMBL4996499

SCHEMBL4996499

O=C1NCCn2nc(-c3ccnc(-c4cccc(F)c4C(F)(F)F)n3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.44
PIM1 P11309 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
MAPKAPK2 P49137 2/20 0.36
PARP1 P09874 6/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TRPA1 O75762 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
MAP4K1 Q92918 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
SCHEMBL4999852 0.88 CDC7 (0.47) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL5002817 0.87 CDC7 (0.49) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL5000048 0.86 CDC7 (0.44) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL14188675 0.86 CDC7 (0.46) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL14188712 0.86 PIM1 (0.47) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL5000036 0.86 CDC7 (0.46) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL14188459 0.85 CYP1A2 (0.51) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL4995937 0.85 CDC7 (0.49) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL4997028 0.84 CDC7 (0.50) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL14188469 0.84 CDC7 (0.50) CDC7PIM1PIM2MAPKAPK2PARP1

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.