SCHEMBL2725841

SCHEMBL2725841

COc1cc(Nc2c(C(N)=O)cnc3cc(-c4c(C)noc4C)ccc23)cc(C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.72
CYP2C9 P11712 6/20 0.72
BRD4 O60885 5/20 0.61
BRD2 P25440 5/20 0.61
BRD3 Q15059 5/20 0.61
SLC2A1 P11166 1/20 0.59
CSF1R P07333 9/20 0.56
LDHA P00338 1/20 0.51
PDE4B Q07343 2/20 0.48
CYP2C19 P33261 1/20 0.47

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
SCHEMBL2726751 0.92 CYP3A4 (0.81) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL2726348 0.91 CYP3A4 (0.73) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL2725614 0.90 CYP3A4 (0.77) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL2727301 0.89 CYP3A4 (0.76) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL2723319 0.89 CYP3A4 (0.76) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL2723401 0.88 CYP3A4 (0.75) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL2726935 0.88 CYP3A4 (0.75) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL2723755 0.88 CYP3A4 (0.79) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL2726322 0.87 CYP3A4 (0.72) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL2725065 0.86 CYP3A4 (0.77) CYP3A4CYP2C9BRD4BRD2BRD3

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
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP claimed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US claimed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 WO claimed
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 WO disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB CYP3A4 163/4885CYP2C9 284/4885BRD4 1425/4885

“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.