SCHEMBL5002274

SCHEMBL5002274

O=C1NCCn2nc(-c3ccnc(-c4ccc5ncccc5c4)c3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.56
MAPKAPK2 P49137 4/20 0.49
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 2/20 0.41
PLK4 O00444 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL4718561 0.88 MAPKAPK2 (0.63) CDC7MAPKAPK2PIM1PIM2DYRK1A
SCHEMBL4994454 0.83 CDC7 (0.65) CDC7MAPKAPK2NPC1POLBRAB9A
SCHEMBL4716974 0.82 MAPKAPK2 (0.61) CDC7MAPKAPK2PIM1PIM2DYRK1A
SCHEMBL4997418 0.82 CDC7 (0.64) CDC7MAPKAPK2PIM1PIM2PIM3
SCHEMBL4991253 0.81 CDC7 (0.57) CDC7MAPKAPK2PIM1PIM2DYRK1A
SCHEMBL14188405 0.81 CDC7 (0.66) CDC7MAPKAPK2NPC1RAB9APIM1
SCHEMBL4716033 0.81 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2CDK1
SCHEMBL14188308 0.80 CDC7 (0.56) CDC7MAPKAPK2PIM1PIM2DYRK1A
SCHEMBL5000428 0.80 CDC7 (0.62) CDC7MAPKAPK2PIM1PIM2GSK3B
SCHEMBL5002673 0.80 CDC7 (0.58) CDC7MAPKAPK2PIM1PIM2MAPK9

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 2/4885NPC1 3564/4885

“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.