SCHEMBL4997271

SCHEMBL4997271

O=C(c1cccc(Br)c1)c1ccccc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PARP1 P09874 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
GRM5 P41594 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4999891 0.91 CDC7 (0.42) CDC7PIM1PIM2PARP1NPC1
SCHEMBL4993809 0.91 CDC7 (0.45) CDC7PIM1PIM2PARP1GRM5
SCHEMBL5002276 0.88 CDC7 (0.42) CDC7PIM1PIM2PARP1ALDH1A1
SCHEMBL4995091 0.87 CYP2C8 (0.40) CDC7PIM1PIM2PARP1ALDH1A1
SCHEMBL4999920 0.85 CDC7 (0.44) CDC7PIM1PIM2PARP1NPC1
SCHEMBL4994749 0.85 CDC7 (0.46) CDC7PIM1PIM2PARP1NPC1
SCHEMBL4995748 0.84 CDC7 (0.44) CDC7PIM1PIM2PARP1MEN1
SCHEMBL4991863 0.84 CDC7 (0.46) CDC7PIM1PIM2PARP1GRM5
SCHEMBL4991821 0.83 CYP11B1 (0.41) CDC7PIM1PIM2PARP1NPC1
SCHEMBL4995051 0.82 CDC7 (0.40) CDC7PIM1PIM2ALDH1A1HTT

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.