SCHEMBL6031773

SCHEMBL6031773

CCCCCNC1=CC(=O)c2scnc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
APAF1 O14727 1/20 0.47
S100A4 P26447 2/20 0.44
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
CDC25C P30307 1/20 0.43
CDK4 P11802 1/20 0.34
DNM2 P50570 4/20 0.33
MAPT P10636 2/20 0.33
GPR84 Q9NQS5 4/20 0.33
XDH P47989 2/20 0.33
ADRA2A P08913 1/20 0.33
HCAR3 P49019 1/20 0.33
NPC1 O15118 1/20 0.32
STAT1 P42224 1/20 0.32
RAB9A P51151 1/20 0.32
MALT1 Q9UDY8 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
SCHEMBL2401309 0.85 CDC25A (0.48) ALDH1A1APAF1S100A4CDC25ACDC25B
SCHEMBL2404140 0.76 CDC25A (0.66) ALDH1A1APAF1S100A4CDC25ACDC25B
SCHEMBL15698467 0.73 S100A4 (0.63) ALDH1A1APAF1S100A4CDC25BMAPT
SCHEMBL9326771 0.73 ALDH1A1 (0.56) ALDH1A1APAF1S100A4MAPTGPR84
SCHEMBL458428 0.71 S100A4 (0.68) ALDH1A1APAF1S100A4CDC25BMAPT
SCHEMBL3809294 0.70 CDC25A (0.76) ALDH1A1APAF1S100A4CDC25ACDC25B
SCHEMBL3317054 0.69 APAF1 (0.91) ALDH1A1APAF1S100A4MAPTNPC1
SCHEMBL3315349 0.68 ALDH1A1 (0.72) ALDH1A1APAF1S100A4MAPTNPC1
SCHEMBL30587688 0.68 ALDH1A1 (0.72) ALDH1A1APAF1S100A4MAPTNPC1
SCHEMBL5925219 0.68 APAF1 (0.48) ALDH1A1APAF1S100A4CDC25ACDC25B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 US disclosed
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 WO 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-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 ALDH1A1 450/4885APAF1 2565/4885S100A4 2811/4885

“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.