SCHEMBL4990638

SCHEMBL4990638

O=C1NCCn2nc(-c3ccnc(-n4ccnn4)c3)cc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.58
PIK3C3 Q8NEB9 2/20 0.37
EGLN2 Q96KS0 6/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPKAPK2 P49137 1/20 0.32
COMT P21964 1/20 0.32
PRKD3 O94806 1/20 0.31
PRKD1 Q15139 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 1/20 0.30
HIF1AN Q9NWT6 1/20 0.30
MAP3K5 Q99683 1/20 0.30

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
SCHEMBL4715193 0.93 CDC7 (0.50) CDC7PIK3C3EGLN2PIM1PIM2
Hydrochloric Acid SCHEMBL4994409 0.92 CDC7 (0.49) CDC7PIK3C3EGLN2PIM1PIM2
SCHEMBL4996831 0.84 CDC7 (0.58) CDC7PIK3C3PIM1PIM2ALDH1A1
SCHEMBL5000434 0.81 CDC7 (0.64) CDC7PIK3C3PIM1PIM2ALDH1A1
SCHEMBL5002898 0.81 CDC7 (0.60) CDC7PIK3C3PIM1PIM2ALDH1A1
SCHEMBL14188388 0.80 CDC7 (0.62) CDC7PIK3C3PIM1PIM2ALDH1A1
SCHEMBL14188335 0.79 CDC7 (0.55) CDC7PIK3C3PIM1PIM2ALDH1A1
SCHEMBL14188423 0.78 CDC7 (0.50) CDC7PIK3C3PIM1PIM2ALDH1A1
Hydrochloric Acid SCHEMBL4718380 0.77 CDC7 (0.49) CDC7PIK3C3PIM1PIM2ALDH1A1
SCHEMBL4717392 0.77 CDC7 (0.68) CDC7PIK3C3PIM1PIM2ALDH1A1

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 348/4885EGLN2 4110/4885

“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.