SCHEMBL4996124

SCHEMBL4996124

O=C1NCCn2nc(-c3ccnc(-c4ccsc4)c3)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.61
MAPKAPK2 P49137 4/20 0.50
HRH4 Q9H3N8 2/20 0.45
ALOX5 P09917 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PRKDC P78527 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.36
FYN P06241 3/20 0.34
NPC1 O15118 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
PDGFRA P16234 1/20 0.34
AURKB Q96GD4 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 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
SCHEMBL4992810 0.82 CDC7 (0.60) CDC7MAPKAPK2PIM1PIM2PIK3C3
SCHEMBL4716033 0.82 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2PIK3C3
SCHEMBL5002478 0.82 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2PRKDC
SCHEMBL14188405 0.82 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2PIK3C3
SCHEMBL4994454 0.81 CDC7 (0.65) CDC7MAPKAPK2PIM1PIM2PIK3C3
SCHEMBL4996496 0.81 CDC7 (0.55) CDC7MAPKAPK2PIM1PIM2KDM1A
SCHEMBL14188402 0.81 CDC7 (0.61) CDC7MAPKAPK2PIM1PIM2PIK3C3
SCHEMBL14188432 0.81 CDC7 (0.61) CDC7MAPKAPK2PIM1PIM2PIK3C3
SCHEMBL4997418 0.81 CDC7 (0.64) CDC7MAPKAPK2PIM1PIM2PRKDC
SCHEMBL4994488 0.81 CDC7 (0.61) CDC7MAPKAPK2PIM1PIM2PRKDC

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 487/4885MAPKAPK2 2/4885HRH4 2688/4885

“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.