SCHEMBL115702

SCHEMBL115702

Cc1nc(-c2cccnc2Nc2ccc(NC(=O)C3CC3)cc2)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.55
MTOR P42345 2/20 0.55
FLT3 P36888 4/20 0.46
YTHDC1 Q96MU7 1/20 0.41
BRAF P15056 1/20 0.38
BTK Q06187 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHKA P35790 3/20 0.36
TNKS2 Q9H2K2 2/20 0.36
CYP2C19 P33261 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
SCHEMBL115603 0.92 PIK3CA (0.49) PIK3CAMTORFLT3YTHDC1BRAF
SCHEMBL114728 0.84 PIK3CA (0.54) PIK3CAMTORFLT3YTHDC1BRAF
SCHEMBL114569 0.82 PIK3CA (0.50) PIK3CAMTORFLT3YTHDC1
SCHEMBL117532 0.79 PIK3CA (0.51) PIK3CAMTORFLT3YTHDC1NPC1
SCHEMBL29877987 0.78 KDR (0.43) BRAF
SCHEMBL114895 0.77 YTHDC1 (0.46) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL29878036 0.77 YTHDC1 (0.46) FLT3YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL114343 0.76 PIK3CA (0.77) PIK3CAMTORBRAFBTKTNKS2
SCHEMBL114523 0.75 MTOR (0.51) PIK3CAMTORFLT3YTHDC1BRAF
SCHEMBL29877745 0.73 BRAF (0.47) FLT3BRAFNPC1RAB9ASMN1; SMN2

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 2/4885MTOR 1/4885FLT3 923/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885FLT3 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.