SCHEMBL5002853

SCHEMBL5002853

CCCCc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.47
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
NISCH Q9Y2I1 1/20 0.38
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CTRC Q99895 1/20 0.36
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
S1PR1 P21453 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 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
SCHEMBL14188564 0.99 CDC7 (0.46) CDC7IKBKBCHUKNISCHPIM1
SCHEMBL4994742 0.97 CDC7 (0.46) CDC7IKBKBCHUKNISCHPIM1
SCHEMBL4996096 0.96 CDC7 (0.46) CDC7IKBKBCHUKNISCHPIM1
SCHEMBL4997371 0.96 CDC7 (0.46) CDC7IKBKBCHUKPIM1PIM2
SCHEMBL4991440 0.96 CDC7 (0.46) CDC7IKBKBCHUKPIM1PIM2
SCHEMBL5000185 0.96 CDC7 (0.46) CDC7IKBKBCHUKPIM1PIM2
SCHEMBL5000577 0.95 CDC7 (0.45) CDC7IKBKBCHUKPIM1PIM2
SCHEMBL14188503 0.95 CDC7 (0.45) CDC7IKBKBCHUKPIM1PIM2
SCHEMBL14188559 0.95 CDC7 (0.45) CDC7IKBKBCHUKPIM1PIM2
SCHEMBL4996911 0.94 CDC7 (0.49) CDC7IKBKBCHUKNISCHPIM1

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 487/4885IKBKB 281/4885CHUK 116/4885

“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.