SCHEMBL165273

SCHEMBL165273

O=[N+]([O-])c1cccc2c1cnn2C1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
NOS1 P29475 1/20 0.35
ATM Q13315 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HPGD P15428 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
SCHEMBL5401505 0.83 RXRA (0.41) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL20699373 0.82 RXRA (0.39) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL30161705 0.82 RXRA (0.39) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL14909505 0.80 TDP1 (0.44) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL4572292 0.80 CYP4F2 (0.46) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL168052 0.80 DDB1 (0.51) RXRARXRBRXRGALDH1A1POLB
SCHEMBL156398 0.80 RXRA (0.42) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL31628652 0.80 RXRA (0.42) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL29416187 0.80 RXRA (0.42) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL1141884 0.80 RXRA (0.45) RXRARXRBRXRGALDH1A1KMT2A

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 17 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
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-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US 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-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 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
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 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
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
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US 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 RXRA 4714/4885RXRB 4738/4885RXRG 4552/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD RXRA 4714/4885RXRB 4738/4885RXRG 4552/4885

“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.