SCHEMBL118019

SCHEMBL118019

CC(C)(CO)c1ccc(F)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP3A4 P08684 3/20 0.35
CYP2A6 P11509 3/20 0.35
CYP2B6 P20813 3/20 0.35
CYP2C19 P33261 2/20 0.35
SYK P43405 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
NFE2L2 Q16236 1/20 0.31
CYP2E1 P05181 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL18711815 0.82 NPC1 (0.38) CYP3A4CYP2A6CYP2B6CYP2C19SMN1; SMN2
SCHEMBL21718959 0.79 CNR2 (0.35) CNR1CNR2CYP3A4CYP2A6CYP2B6
SCHEMBL5527620 0.78 TNKS (0.40) CYP3A4CYP2A6CYP2B6CYP2C19CYP2E1
SCHEMBL16472121 0.77 ALOX5AP (0.39) CYP3A4CYP2A6CYP2B6CYP2C19CYP2E1
SCHEMBL116043 0.77 ALOX5AP (0.39) CYP3A4CYP2A6CYP2B6CYP2C19CYP2E1
SCHEMBL9685382 0.77 ALDH1A1 (0.41) CNR1CNR2PRKAB2PRKAG1PRKAA2
SCHEMBL20804021 0.74 CACNA1I (0.36) CNR1CNR2CYP3A4SMN1; SMN2
SCHEMBL4593380 0.73 CNR1 (0.48) CNR1CNR2CYP3A4SMN1; SMN2PRKAB2
SCHEMBL117435 0.73 MKNK1 (0.33)
SCHEMBL186541 0.73 CNR1 (0.42) CNR1CNR2CYP3A4CYP2C19SMN1; 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 CNR1 2987/4885CNR2 3503/4885CYP3A4 3875/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD CNR1 2987/4885CNR2 3503/4885CYP3A4 3875/4885

“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.