SCHEMBL3330957

SCHEMBL3330957

Cn1nccc1-c1cnc(C(=O)O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 2/20 0.42
SLC13A5 Q86YT5 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABL1 P00519 1/20 0.41
CYP11B2 P19099 1/20 0.41
HDAC8 Q9BY41 3/20 0.41
CTSA P10619 1/20 0.40
COMT P21964 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
APOBEC3A P31941 1/20 0.38
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL15047763 0.77 CYP1A2 (0.47) PORCNSLC13A5CYP1A2CYP3A4CYP2D6
SCHEMBL30060833 0.75 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL26953360 0.75 CYP1A2 (0.46) PORCNSLC13A5CYP1A2CYP3A4CYP2D6
SCHEMBL23534294 0.73 PORCN (0.38) PORCNSLC13A5CYP1A2CYP3A4CYP2D6
SCHEMBL15044973 0.72 CYP2D6 (0.44) PORCNCYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL1640504 0.71 ITGB1 (0.39) PORCNSLC13A5CYP1A2CYP3A4CYP2D6
SCHEMBL1539536 0.71 CYP11B1 (0.42) PORCNSLC13A5ABL1CYP11B2HDAC8
SCHEMBL940183 0.71 KDM5A (0.52) PORCNCTSAKDM4EALDH1A1GAA
SCHEMBL1529924 0.71 AKT1 (0.47) PORCNSLC13A5CYP1A2CYP3A4CYP2D6
SCHEMBL30740531 0.71 KDM5A (0.52) PORCNCTSAKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
EP-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 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-20100137338-A1 INHIBITORS OF Akt ACTIVITY PI4KB, AKT3, AKT2 PORCN 3116/4885SLC13A5 3853/4885CYP1A2 3734/4885

“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.