SCHEMBL4997440

SCHEMBL4997440

O=C(O)c1cccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.49
MAPKAPK2 P49137 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ITGA2B P08514 1/20 0.38
CD74 P04233 1/20 0.38
MIF P14174 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
PRKCA P17252 1/20 0.38
KDM4C Q9H3R0 5/20 0.37
KDM4A O75164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
ADORA2B P29275 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37
SYK P43405 1/20 0.36

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
SCHEMBL5002475 0.92 CDC7 (0.47) CDC7MAPKAPK2PIM1PIM2KDM4E
SCHEMBL4997425 0.91 CDC7 (0.48) CDC7MAPKAPK2PIM1PIM2PDE4D
SCHEMBL4991763 0.88 CDC7 (0.52) CDC7MAPKAPK2PIM1PIM2ITGA2B
SCHEMBL4991294 0.88 CDC7 (0.52) CDC7MAPKAPK2PIM1PIM2KDM4E
SCHEMBL14188600 0.88 CDC7 (0.46) CDC7MAPKAPK2PIM1PIM2KMO
SCHEMBL4990601 0.88 CDC7 (0.56) CDC7PIM1PIM2KDM4ENPC1
SCHEMBL4991274 0.87 CDC7 (0.51) CDC7MAPKAPK2PIM1PIM2KDM4C
SCHEMBL4996859 0.87 CDC7 (0.51) CDC7MAPKAPK2PIM1PIM2ITGA2B
SCHEMBL4991016 0.85 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2KDM4E
SCHEMBL4991418 0.85 CDC7 (0.49) CDC7MAPKAPK2PIM1PIM2KDM4E

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 2/4885PIM1 539/4885

“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.