SCHEMBL115606

SCHEMBL115606

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCSCC4)cnc3F)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.47
PDE1B Q01064 2/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CD O00329 8/20 0.38
PIK3CB P42338 8/20 0.38
PIK3CG P48736 8/20 0.38
PIK3R1 P27986 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
SCHEMBL165835 0.90 PIK3CA (0.47) PIK3CAPDE1BKDM4ESMN1; SMN2PIK3CD
SCHEMBL164613 0.86 PIK3CA (0.44) PIK3CAPDE1BPIK3CDPIK3CBPIK3CG
SCHEMBL167498 0.86 PIK3CA (0.51) PIK3CAPDE1BPIK3CDPIK3CBPIK3CG
SCHEMBL116034 0.83 PIK3CA (0.43) PIK3CAPDE1BALDH1A1SMN1; SMN2PIK3CD
SCHEMBL168157 0.82 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL169240 0.79 PIK3CA (0.44) PIK3CAALDH1A1
SCHEMBL116627 0.79 PIK3CA (0.49) PIK3CAALDH1A1SMN1; SMN2PIK3CDPIK3CB
SCHEMBL3108787 0.79 PIK3CA (0.41) PIK3CAKDM4EALDH1A1
SCHEMBL114924 0.78 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL3112089 0.78 DRD3 (0.40) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1

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 PIK3CA 2/4885PDE1B 2043/4885KDM4E 1916/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PDE1B 2043/4885KDM4E 1916/4885

“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.