SCHEMBL4992810

SCHEMBL4992810

O=C1NCCn2nc(-c3ccnc(-c4nccs4)c3)cc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.60
PIK3C3 Q8NEB9 2/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MAPKAPK2 P49137 7/20 0.35
HSP90AA1 P07900 1/20 0.33
RPS6KA3 P51812 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TYK2 P29597 1/20 0.32
MAT2A P31153 1/20 0.31
HPGD P15428 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 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
SCHEMBL4996124 0.82 CDC7 (0.61) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL4996496 0.82 CDC7 (0.55) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL4716033 0.81 CDC7 (0.66) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL4994454 0.81 CDC7 (0.65) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL4996176 0.79 CDC7 (0.54) CDC7PIM1PIM2MAPKAPK2ALDH1A1
SCHEMBL4713471 0.79 CDC7 (0.60) CDC7PIM1PIM2MAPKAPK2
SCHEMBL5002478 0.79 CDC7 (0.66) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL14188405 0.79 CDC7 (0.66) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL4990895 0.78 CDC7 (0.58) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL4717392 0.78 CDC7 (0.68) CDC7PIK3C3PIM1PIM2MAPKAPK2

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 487/4885PIK3C3 348/4885PIM1 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.