SCHEMBL115479

SCHEMBL115479

C=C(c1ccc(SC)cc1)c1ccc(F)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 2/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32
EPHX2 P34913 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HAO1 Q9UJM8 1/20 0.30
CYP1A2 P05177 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
SCHEMBL114624 0.80 RXFP1 (0.45) PLK1MEN1KMT2AHSD17B10MAPT
SCHEMBL1713352 0.76
SCHEMBL116035 0.72 CYP2A6 (0.38) MAPTCYP2C19CYP3A4CYP2A6CYP2B6
SCHEMBL28571430 0.72 MEN1 (0.53) PLK1MEN1KMT2AHSD17B10MAPT
SCHEMBL116107 0.70 ALOX5 (0.37) CYP2C19CYP3A4CYP2A6CYP2B6SLC6A4
SCHEMBL17811483 0.69 MEN1 (0.41) PLK1MEN1KMT2AHSD17B10MAPT
SCHEMBL115662 0.69 SLC6A4 (0.40) MEN1KMT2ACYP2C19CYP3A4CYP1A2
SCHEMBL115480 0.69 CYP1A1 (0.49) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL114283 0.69 SLC6A4 (0.39) MEN1KMT2ACYP2C19CYP3A4CYP1A2
SCHEMBL22783085 0.69 CYP3A4 (0.31) MAPTCYP2C19CYP3A4CYP2A6CYP2B6

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 PLK1 147/4885MEN1 950/4885KMT2A 3411/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PLK1 147/4885MEN1 950/4885KMT2A 3411/4885

“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.