SCHEMBL4996558

SCHEMBL4996558

O=C1NCCn2nc(-c3ccnc(-c4c(F)cccc4Oc4ccc(F)cc4)n3)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
SCN9A Q15858 4/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
HTR1A P08908 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PARP1 P09874 1/20 0.34
GRM5 P41594 1/20 0.33
MAPK14 Q16539 2/20 0.33
MAP4K1 Q92918 5/20 0.33
NTRK1 P04629 3/20 0.33
PIK3CG P48736 1/20 0.32
MAP4K2 Q12851 1/20 0.32
STK4 Q13043 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
SCHEMBL14188549 0.94 CDC7 (0.41) CDC7PIM1PIM2HTR1ASLC6A2
SCHEMBL5000214 0.94 CDC7 (0.39) CDC7SCN9APIM1PIM2SLC6A2
SCHEMBL14188521 0.88 FFAR4 (0.38) CDC7SCN9APIM1PIM2PARP1
SCHEMBL14188494 0.88 CDC7 (0.43) CDC7PIM1PIM2MAP4K1NTRK1
SCHEMBL4997028 0.87 CDC7 (0.50) CDC7PIM1PIM2PARP1
SCHEMBL5000513 0.85 CDC7 (0.41) CDC7SCN9APIM1PIM2PARP1
SCHEMBL4994767 0.84 PIM1 (0.38) CDC7PIM1PIM2MAP4K1NTRK1
SCHEMBL14188431 0.83 CDC7 (0.41) CDC7SCN9APIM1PIM2PARP1
SCHEMBL14188354 0.82 CDC7 (0.46) CDC7PIM1PIM2PARP1
SCHEMBL14188385 0.82 CDC7 (0.46) CDC7PIM1PIM2PARP1

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 487/4885SCN9A 2668/4885PIM1 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.