SCHEMBL167307

SCHEMBL167307

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3ccc(-c4ccncc4)nc3F)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.43
NPC1 O15118 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.37
MAPT P10636 6/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
PTGDR Q13258 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ROCK1 Q13464 2/20 0.35
SLC2A4 P14672 1/20 0.35
SLC2A8 Q9NY64 1/20 0.35
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
GRM1 Q13255 1/20 0.34
ROCK2 O75116 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL166682 0.88 CYP19A1 (0.43) PIK3CANPC1TSHRHSD17B10ALDH1A1
SCHEMBL115289 0.84 PIK3CA (0.48) PIK3CATSHRALDH1A1KDM4EMAPT
SCHEMBL114555 0.81 LMNA (0.49) PIK3CANPC1TSHRALDH1A1MAPT
SCHEMBL168604 0.80 PIK3CA (0.69) PIK3CA
SCHEMBL169105 0.78 PIK3CA (0.44) PIK3CATSHRALDH1A1MAPTLMNA
SCHEMBL115485 0.75 PIK3CA (0.52) PIK3CATSHRALDH1A1KDM4EMAPT
SCHEMBL166618 0.73 PIK3CA (0.56) PIK3CATSHRALDH1A1MAPTLMNA
SCHEMBL166610 0.73 SMN1; SMN2 (0.46) PIK3CATSHRALDH1A1KDM4EMAPT
SCHEMBL116627 0.73 PIK3CA (0.49) PIK3CATSHRALDH1A1MAPTLMNA
SCHEMBL169240 0.73 PIK3CA (0.44) PIK3CANPC1TSHRALDH1A1MAPT

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 2/4885NPC1 479/4885TSHR 4062/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885NPC1 479/4885TSHR 4062/4885

“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.