SCHEMBL166610

SCHEMBL166610

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3ccc(CN4CCOCC4)nc3F)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
PIK3CA P42336 4/20 0.44
PDE1B Q01064 1/20 0.41
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PDE4B Q07343 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CXCR4 P61073 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 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
SCHEMBL165835 0.84 PIK3CA (0.47) SMN1; SMN2PIK3CAPDE1BTSHRHIF1A
SCHEMBL115289 0.79 PIK3CA (0.48) PIK3CATSHRKDM4ECYP2D6ALDH1A1
SCHEMBL169191 0.75 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGKMT2A
SCHEMBL167612 0.74 PIK3CA (0.72) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL114555 0.74 LMNA (0.49) SMN1; SMN2PIK3CATSHRCYP2D6ALDH1A1
SCHEMBL169105 0.74 PIK3CA (0.44) PIK3CATSHRCYP2D6ALDH1A1MAPT
SCHEMBL115606 0.73 PIK3CA (0.47) SMN1; SMN2PIK3CAPDE1BKDM4EALDH1A1
SCHEMBL167307 0.73 PIK3CA (0.43) SMN1; SMN2PIK3CATSHRKDM4EALDH1A1
SCHEMBL114977 0.72 PIK3CA (0.45) PIK3CAPDE1BMAPT
SCHEMBL164613 0.71 PIK3CA (0.44) PIK3CAPDE1BPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD SMN1; SMN2 1834/4885PIK3CA 2/4885PDE1B 2043/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD SMN1; SMN2 1834/4885PIK3CA 2/4885PDE1B 2043/4885

“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.