SCHEMBL676630

SCHEMBL676630

CCOC(=O)c1coc(-c2ccnn2C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
NLRP3 Q96P20 1/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.38
PDE4B Q07343 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAPT P10636 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDE4A P27815 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL674283 0.80 PDE4B (0.42) ALDH1A1KDM4EGAAPOLBPDE4B
SCHEMBL12571352 0.77 CDC7 (0.51) CYP1A2ALDH1A1HPGDGAAHDAC1
SCHEMBL21070701 0.75 NLRP3 (0.41) CYP1A2ALDH1A1KDM4EHPGDNLRP3
SCHEMBL674347 0.75 RAB9A (0.55) CYP1A2ALDH1A1GAAPOLBMAPT
SCHEMBL12571363 0.75 CYP1A2 (0.49) CYP1A2ALDH1A1KDM4EHPGDNLRP3
SCHEMBL26315180 0.75 HDAC1 (0.61) CYP1A2ALDH1A1KDM4EHPGDPDE4B
SCHEMBL2792417 0.75 ALDH1A1 (0.59) CYP1A2ALDH1A1KDM4EHPGDGAA
SCHEMBL3070077 0.74 PDE4B (0.53) CYP1A2ALDH1A1PDE4BHDAC1HDAC8
SCHEMBL1539573 0.74 CYP11B1 (0.43) CYP1A2ALDH1A1KDM4EHPGDNLRP3
SCHEMBL12571345 0.74 LMNA (0.52) CYP1A2ALDH1A1KDM4EHPGDGAA

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-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
EP-2303852-A2 INHIBITORS OF AKT ACTIVITY GlaxoSmithKline LLC (US) 2011-04-06 EP disclosed
WO-2009158374-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 WO disclosed
WO-2009158374-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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-20110160255-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PIK3CA CYP1A2 4077/4885ALDH1A1 4692/4885KDM4E 2097/4885

“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.