SCHEMBL4994488

SCHEMBL4994488

O=C1NCCn2nc(-c3ccnc(-c4ccoc4)c3)cc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.61
KDM5B Q9UGL1 1/20 0.39
FYN P06241 5/20 0.38
MAPKAPK2 P49137 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRKDC P78527 1/20 0.37
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.36
CDK1 P06493 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
MAPKAPK5 Q8IW41 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL14188405 0.82 CDC7 (0.66) CDC7MAPKAPK2ALDH1A1PIM1PIM2
SCHEMBL5002478 0.82 CDC7 (0.66) CDC7MAPKAPK2ALDH1A1PRKDCPIM1
SCHEMBL4716033 0.82 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2PIK3C3
SCHEMBL4994454 0.81 CDC7 (0.65) CDC7KDM5BMAPKAPK2CYP1A2PIM1
SCHEMBL4996124 0.81 CDC7 (0.61) CDC7FYNMAPKAPK2PRKDCPIM1
SCHEMBL4997418 0.81 CDC7 (0.64) CDC7FYNMAPKAPK2PRKDCPIM1
SCHEMBL14188432 0.81 CDC7 (0.61) CDC7KDM5BMAPKAPK2ALDH1A1PIM1
SCHEMBL14188402 0.81 CDC7 (0.61) CDC7MAPKAPK2PIM1PIM2PIK3C3
SCHEMBL4994673 0.81 CDC7 (0.57) CDC7FYNMAPKAPK2ALDH1A1HSD17B10
SCHEMBL5002677 0.80 CDC7 (0.60) CDC7KDM5BFYNMAPKAPK2ALDH1A1

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 487/4885KDM5B 1909/4885FYN 331/4885

“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.