SCHEMBL166682

SCHEMBL166682

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3ccc(-c4cccnc4)nc3F)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
PIK3CA P42336 3/20 0.43
CYP11B1 P15538 6/20 0.42
CYP11B2 P19099 6/20 0.42
CYP2C9 P11712 1/20 0.41
CYP17A1 P05093 1/20 0.41
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PTGDR Q13258 1/20 0.39
F2 P00734 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP1B1 Q16678 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL167307 0.88 PIK3CA (0.43) PIK3CAPTGDRMAPTHSD17B10TSHR
SCHEMBL114555 0.82 LMNA (0.49) PIK3CACYP2C9MAPTTSHRCYP1A2
SCHEMBL166406 0.81 PIK3CA (0.69) PIK3CA
SCHEMBL115289 0.81 PIK3CA (0.48) PIK3CACYP2C9MAPTTSHRCYP1A2
SCHEMBL169105 0.75 PIK3CA (0.44) PIK3CACYP2C9MAPTTSHRCYP1A2
SCHEMBL115485 0.74 PIK3CA (0.52) PIK3CACYP11B1CYP11B2CYP2C9MAPT
SCHEMBL168604 0.73 PIK3CA (0.69) PIK3CA
SCHEMBL168049 0.73 PIK3CA (0.43) PIK3CACYP2C9MAPTTSHRCYP1A2
SCHEMBL169240 0.72 PIK3CA (0.44) PIK3CACYP2C9MAPTTSHRCYP1A2
SCHEMBL116627 0.72 PIK3CA (0.49) PIK3CAMAPTPOLBTSHRCYP1A2

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 CYP19A1 1537/4885PIK3CA 2/4885CYP11B1 962/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD CYP19A1 1537/4885PIK3CA 2/4885CYP11B1 962/4885

“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.