SCHEMBL115578

SCHEMBL115578

COc1ncc(N)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
P2RX3 P56373 14/20 0.40
P2RX2 Q9UBL9 14/20 0.40
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL29347849 0.83 MAPT (0.38) PIK3CAMAPTCASP1AURKATTK
SCHEMBL16133709 0.78 GABRA1 (0.35) PIK3R1PIK3CAP2RX3P2RX2MAPT
SCHEMBL15292546 0.78 PIK3R1 (0.36) PIK3R1PIK3CAP2RX3P2RX2MAPT
SCHEMBL28649665 0.77 GABRA1 (0.41) PIK3R1PIK3CAP2RX3P2RX2MAPT
SCHEMBL22959247 0.77 PIK3R1 (0.35) PIK3R1PIK3CAP2RX3P2RX2MAPT
SCHEMBL11890406 0.77 TSHR (0.43) PIK3R1PIK3CAP2RX3P2RX2
SCHEMBL29527128 0.77 PIK3R1 (0.35) PIK3R1PIK3CAP2RX3P2RX2MAPT
SCHEMBL29527168 0.77 GABRA1 (0.41) PIK3R1PIK3CAP2RX3P2RX2MAPT
SCHEMBL15150582 0.77 P2RX3 (0.35) PIK3R1PIK3CAP2RX3P2RX2MAPT
SCHEMBL8986074 0.75 MAPT (0.56) PIK3CAMAPTCASP1AURKATTK

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527798-B2 Cyclopropylboronic compounds, preparation process thereof and use thereof DIVERCHIM (FR) 2016-12-27 US disclosed
US-9527798-B2 Cyclopropylboronic compounds, preparation process thereof and use thereof DIVERCHIM (FR) 2016-12-27 US disclosed
CN-102548984-B The inhibitor of PI3 kinases and/or MTOR AMGEN INC. (US) 2015-11-25 CN disclosed
US-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2015-11-19 US disclosed
US-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2015-11-19 US 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-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
CN-102548984-A Inhibitors of PI3 kinase and / or MTOR AMGEN INC 2012-07-04 CN 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 (3 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 PIK3R1 9/4885PIK3CA 2/4885P2RX3 2600/4885
US-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF HMBS, MMAB, FDPS PIK3R1 4661/4885PIK3CA 2080/4885P2RX3 4037/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3R1 9/4885PIK3CA 2/4885P2RX3 2600/4885

“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.