SCHEMBL113641

SCHEMBL113641

Cc1nc(N)cc(-c2nccnc2F)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.46
PIK3CD O00329 3/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CG P48736 3/20 0.46
MTOR P42345 6/20 0.42
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
PRMT5 O14744 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL114590 0.76 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL115681 0.68 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL171325 0.67
SCHEMBL13982039 0.67 KDM4E (0.50) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL28995570 0.66
SCHEMBL16653904 0.66 MAP3K12 (0.41) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL8265150 0.63 ADORA2A (0.66)
SCHEMBL1231876 0.62 ADORA2A (0.36) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL687645 0.61
SCHEMBL11908327 0.61 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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 2/4885PIK3CD 3/4885PIK3CB 13/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CD 3/4885PIK3CB 13/4885

“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.