SCHEMBL4509999

SCHEMBL4509999

CC1CN(c2ccc(-c3cnccn3)cc2C=O)CC(C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
GSK3B P49841 5/20 0.37
MAPT P10636 2/20 0.37
ABL1 P00519 1/20 0.37
DYRK1A Q13627 4/20 0.37
RAB9A P51151 1/20 0.37
LRRK2 Q5S007 4/20 0.36
CHEK1 O14757 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GHSR Q92847 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35

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
SCHEMBL2216078 0.85 KDM4E (0.42) KDM4EHTTTDP1KMT2AGSK3B
SCHEMBL2214872 0.84 TDP1 (0.40) KDM4EHTTTDP1KMT2AMAPT
SCHEMBL4508573 0.81 KDM4E (0.42) KDM4EHTTTDP1PDE3BPDE3A
SCHEMBL4508054 0.81 KDM4E (0.47) KDM4EHTTTDP1KMT2APDE3B
SCHEMBL2215615 0.79 TDP1 (0.42) KDM4EHTTTDP1KMT2AGSK3B
SCHEMBL2213684 0.78 CYP2A6 (0.42) KDM4EHTTTDP1KMT2AGSK3B
SCHEMBL2215831 0.78 KDM4E (0.40) KDM4EHTTTDP1KMT2APDE3B
SCHEMBL28191915 0.77 TDP1 (0.46) KDM4EHTTTDP1MAPTRAB9A
SCHEMBL4515404 0.77 LRRK2 (0.45) KDM4EHTTTDP1KMT2APDE3B
SCHEMBL2213687 0.76 MAPT (0.39) KDM4EHTTTDP1KMT2AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620439-A1 8-pyrazinyl-S-spiropyrimidinetrione-oxazinoquinoline derivatives as antibacterial agents PAH USA 15 LLC (US) 2013-07-31 EP disclosed
US-20090275536-A1 Antibacterial Agents PFIZER INC 2009-11-05 US disclosed
US-7557100-B2 Antibacterial agents PFIZER INC. (US) 2009-07-07 US disclosed
EP-1971612-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS Pfizer Products Inc. (US) 2008-09-24 EP disclosed
US-20070197518-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-23 US disclosed
WO-2007072151-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-06-28 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 (2 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-20090275536-A1 Antibacterial Agents CLPP, MRPL21, SPOUT1 KDM4E 4288/4885HTT 3802/4885TDP1 3679/4885
US-20070197518-A1 Antibacterial agents CLPP, MRPL21, SPOUT1 KDM4E 4288/4885HTT 3802/4885TDP1 3679/4885

“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.