SCHEMBL5000428

SCHEMBL5000428

O=C1NCCn2nc(-c3ccnc(-c4ccc5ccncc5c4)c3)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.62
GSK3B P49841 1/20 0.42
MAPKAPK2 P49137 5/20 0.41
PRKCI P41743 1/20 0.40
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
TDO2 P48775 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34
HPGD P15428 1/20 0.34
MKNK1 Q9BUB5 3/20 0.34
MKNK2 Q9HBH9 3/20 0.34
PIK3C3 Q8NEB9 1/20 0.34

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
SCHEMBL4997418 0.84 CDC7 (0.64) CDC7MAPKAPK2PIM1PIM2
SCHEMBL5002478 0.83 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2MKNK1
SCHEMBL5002673 0.82 CDC7 (0.58) CDC7MAPKAPK2PIM1PIM2PIK3CD
SCHEMBL14188367 0.82 CDC7 (0.55) CDC7GSK3BMAPKAPK2PIM1PRKCZ
SCHEMBL4991253 0.81 CDC7 (0.57) CDC7MAPKAPK2PIM1PIM2
SCHEMBL14188405 0.81 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2MKNK1
SCHEMBL4716033 0.81 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2MKNK1
SCHEMBL5002274 0.80 CDC7 (0.56) CDC7GSK3BMAPKAPK2PIM1PIM2
SCHEMBL14188308 0.80 CDC7 (0.56) CDC7MAPKAPK2PIM1PIM2PIK3CD
SCHEMBL14188402 0.80 CDC7 (0.61) CDC7GSK3BMAPKAPK2PIM1PIM2

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 487/4885GSK3B 379/4885MAPKAPK2 2/4885

“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.