SCHEMBL114728

SCHEMBL114728

CC(=O)Nc1ccc(Nc2ncccc2-c2nc(C)nc3c2ncn3C2CCCCO2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.54
BRAF P15056 1/20 0.42
FLT3 P36888 4/20 0.42
YTHDC1 Q96MU7 1/20 0.42
MTOR P42345 3/20 0.40
ATR Q13535 1/20 0.39
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM4 Q14833 1/20 0.34
BTK Q06187 1/20 0.34
KDR P35968 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL114569 0.79 PIK3CA (0.50) PIK3CAFLT3YTHDC1MTOR
SCHEMBL29877987 0.79 KDR (0.43) BRAFKDR
SCHEMBL117532 0.78 PIK3CA (0.51) PIK3CAFLT3YTHDC1MTORNPC1
SCHEMBL114523 0.77 MTOR (0.51) PIK3CABRAFFLT3YTHDC1MTOR
SCHEMBL29877725 0.75 BRAF (0.54) BRAFKDR
SCHEMBL29877536 0.75 BRAF (0.54) BRAFKDR
SCHEMBL114438 0.75 PIK3CA (0.77) PIK3CABRAFMTORKDR
SCHEMBL29877745 0.75 BRAF (0.47) BRAFFLT3CYP1A2HPGDNPC1
SCHEMBL29878251 0.74 BRAF (0.53) BRAFCYP1A2KDR
SCHEMBL29878036 0.74 YTHDC1 (0.46) FLT3YTHDC1ATRCYP1A2NPC1

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 2/4885BRAF 51/4885FLT3 923/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885BRAF 51/4885FLT3 923/4885

“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.