SCHEMBL4999920

SCHEMBL4999920

O=C(c1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MAPKAPK2 P49137 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
PARP1 P09874 1/20 0.31
JAK2 O60674 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PRNP P04156 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 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
SCHEMBL4994640 0.91 CDC7 (0.48) CDC7NPC1RAB9APIM1PIM2
SCHEMBL4991418 0.90 CDC7 (0.49) CDC7NPC1RAB9APIM1PIM2
SCHEMBL4994552 0.86 ABL1 (0.45) CDC7ALDH1A1KMT2AHPGDPARP1
SCHEMBL4987038 0.86 CDC7 (0.51) CDC7NPC1RAB9APIM1PIM2
SCHEMBL14188510 0.85 CDC7 (0.48) CDC7NPC1RAB9APIM1PIM2
SCHEMBL4997271 0.85 CDC7 (0.40) CDC7NPC1RAB9APIM1PIM2
SCHEMBL4997324 0.85 CDC7 (0.44) CDC7NPC1RAB9APIM1PIM2
SCHEMBL4996811 0.85 CDC7 (0.54) CDC7NPC1RAB9APIM1PIM2
SCHEMBL4995882 0.84 CDC7 (0.49) CDC7NPC1RAB9APIM1PIM2
SCHEMBL4991763 0.83 CDC7 (0.52) CDC7PIM1PIM2ALDH1A1MAPKAPK2

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 487/4885NPC1 3564/4885RAB9A 1827/4885

“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.