SCHEMBL4990895

SCHEMBL4990895

O=C1NCCn2nc(-c3ccnc(-c4ccc(Cl)s4)c3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.58
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
PIK3C3 Q8NEB9 2/20 0.37
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MAPKAPK2 P49137 5/20 0.34
ALDH1A1 P00352 3/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
QPCT Q16769 1/20 0.33
SLC6A7 Q99884 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4717392 0.82 CDC7 (0.68) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL14188402 0.81 CDC7 (0.61) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL5002677 0.81 CDC7 (0.60) CDC7PIM1PIM2MAPKAPK2ALDH1A1
SCHEMBL4994454 0.80 CDC7 (0.65) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL4996124 0.79 CDC7 (0.61) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL4992810 0.78 CDC7 (0.60) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL5002478 0.78 CDC7 (0.66) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL14188405 0.78 CDC7 (0.66) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL4716033 0.78 CDC7 (0.66) CDC7PIK3C3PIM1PIM2MAPKAPK2
SCHEMBL14188432 0.77 CDC7 (0.61) 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 487/4885HSD17B1 1899/4885HSD17B2 1047/4885

“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.