SCHEMBL5002863

SCHEMBL5002863

CCCc1ccc(-c2ccc(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.48
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
NISCH Q9Y2I1 1/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
MAPK1 P28482 1/20 0.33
PARP1 P09874 4/20 0.32
PARP2 Q9UGN5 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PRNP P04156 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPKAPK2 P49137 2/20 0.32
PKN1 Q16512 1/20 0.31
PKN2 Q16513 1/20 0.31

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
SCHEMBL4996911 0.99 CDC7 (0.49) CDC7PIM1PIM2NISCHIKBKB
SCHEMBL14188564 0.94 CDC7 (0.46) CDC7PIM1PIM2NISCHIKBKB
SCHEMBL4996096 0.93 CDC7 (0.46) CDC7PIM1PIM2NISCHIKBKB
SCHEMBL5002853 0.93 CDC7 (0.47) CDC7PIM1PIM2NISCHIKBKB
SCHEMBL14188503 0.92 CDC7 (0.45) CDC7PIM1PIM2IKBKBCHUK
SCHEMBL14188559 0.92 CDC7 (0.45) CDC7PIM1PIM2IKBKBCHUK
SCHEMBL5000577 0.92 CDC7 (0.45) CDC7PIM1PIM2IKBKBCHUK
SCHEMBL4994742 0.92 CDC7 (0.46) CDC7PIM1PIM2NISCHIKBKB
SCHEMBL14188623 0.92 CDC7 (0.50) CDC7PIM1PIM2NISCHMAPK1
SCHEMBL5000185 0.91 CDC7 (0.46) CDC7PIM1PIM2IKBKBCHUK

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 487/4885PIM1 539/4885PIM2 309/4885

“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.