SCHEMBL4996436

SCHEMBL4996436

O=C1NCCn2nc(-c3ccnc(-c4ccc(F)cc4F)n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
KMO O15229 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
FAAH O00519 2/20 0.38
MAPKAPK2 P49137 2/20 0.35
PARP1 P09874 2/20 0.35
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MGLL Q99685 1/20 0.34
PARP10 Q53GL7 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL5002969 0.91 CDC7 (0.48) CDC7KMOPIM1PIM2FAAH
SCHEMBL14188482 0.89 CDC7 (0.46) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL14188687 0.89 CDC7 (0.46) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188615 0.89 CDC7 (0.46) CDC7KMOPIM1PIM2MAPKAPK2
SCHEMBL14188665 0.89 CDC7 (0.46) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL14188594 0.89 CDC7 (0.46) CDC7KMOPIM1PIM2FAAH
SCHEMBL14188485 0.89 CDC7 (0.46) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL14188506 0.89 CDC7 (0.46) CDC7KMOPIM1PIM2MAPKAPK2
SCHEMBL14188469 0.89 CDC7 (0.50) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL14188512 0.88 CDC7 (0.47) 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 487/4885KMO 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.